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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 06:11:42 UTC
Update Date2023-02-21 17:31:08 UTC
HMDB IDHMDB0062766
Secondary Accession Numbers
  • HMDB62766
Metabolite Identification
Common Name4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
Description4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol, also known as 2-Hydroxyatrazine, is classified as a member of the 1,3,5-triazines. 1,3,5-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol is considered to be practically insoluble (in water) and relatively neutral
Structure
Data?1677000668
Synonyms
ValueSource
2-HydroxyatrazineChEBI
4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazineChEBI
4-(Ethylamino)-6-(isopropylamino)-S-triazin-2-olChEBI
HydroxyatrazineChEBI
HydroxydechloroatrazineChEBI
2-Hydroxy-4-(ethylamino)-6-(isopropylamino)-S-triazineMeSH, HMDB
Chemical FormulaC8H15N5O
Average Molecular Weight197.242
Monoisotopic Molecular Weight197.127660123
IUPAC Name4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
Traditional Name2-hydroxyatrazine
CAS Registry Number2163-68-0
SMILES
CCNC1=NC(O)=NC(NC(C)C)=N1
InChI Identifier
InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChI KeyNFMIMWNQWAWNDW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,3,5-triazines. 1,3,5-Triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub Class1,3,5-triazines
Direct Parent1,3,5-triazines
Alternative Parents
Substituents
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.3 g/lALOGPS
LogP1.69ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.69ALOGPS
logP1.66ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)14.16ChemAxon
pKa (Strongest Basic)2.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area82.96 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity58.64 m³·mol⁻¹ChemAxon
Polarizability21.26 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+145.56631661259
DarkChem[M-H]-145.56931661259
DeepCCS[M+H]+147.4730932474
DeepCCS[M-H]-143.64330932474
DeepCCS[M-2H]-180.85530932474
DeepCCS[M+Na]+156.39330932474
AllCCS[M+H]+145.932859911
AllCCS[M+H-H2O]+142.132859911
AllCCS[M+NH4]+149.532859911
AllCCS[M+Na]+150.532859911
AllCCS[M-H]-145.432859911
AllCCS[M+Na-2H]-146.432859911
AllCCS[M+HCOO]-147.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-olCCNC1=NC(O)=NC(NC(C)C)=N12891.5Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-olCCNC1=NC(O)=NC(NC(C)C)=N11765.7Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-olCCNC1=NC(O)=NC(NC(C)C)=N11703.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TMS,isomer #1CCNC1=NC(NC(C)C)=NC(O[Si](C)(C)C)=N11877.7Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TMS,isomer #2CCN(C1=NC(O)=NC(NC(C)C)=N1)[Si](C)(C)C1917.9Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TMS,isomer #3CCNC1=NC(O)=NC(N(C(C)C)[Si](C)(C)C)=N11925.4Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C)=N1)[Si](C)(C)C1872.9Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C)=N1)[Si](C)(C)C1821.7Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C)=N1)[Si](C)(C)C2636.1Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #2CCNC1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N11871.1Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #2CCNC1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N11782.5Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #2CCNC1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N12637.9Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C1926.1Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C1953.2Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C2401.8Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TMS,isomer #1CCN(C1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C1928.3Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TMS,isomer #1CCN(C1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C1945.7Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TMS,isomer #1CCN(C1=NC(O[Si](C)(C)C)=NC(N(C(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C2347.5Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TBDMS,isomer #1CCNC1=NC(NC(C)C)=NC(O[Si](C)(C)C(C)(C)C)=N12051.8Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TBDMS,isomer #2CCN(C1=NC(O)=NC(NC(C)C)=N1)[Si](C)(C)C(C)(C)C2084.8Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,1TBDMS,isomer #3CCNC1=NC(O)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N12125.3Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2218.3Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2212.9Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #1CCN(C1=NC(NC(C)C)=NC(O[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2776.9Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #2CCNC1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N12230.2Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #2CCNC1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N12202.8Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #2CCNC1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N12774.5Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2297.0Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2382.0Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,2TBDMS,isomer #3CCN(C1=NC(O)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2573.4Standard polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TBDMS,isomer #1CCN(C1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2452.8Semi standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TBDMS,isomer #1CCN(C1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2559.0Standard non polar33892256
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol,3TBDMS,isomer #1CCN(C1=NC(O[Si](C)(C)C(C)(C)C)=NC(N(C(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C2625.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-004m-2943000000-f86dd89ef589f060ad0e2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0udm-2930000000-8fa3fa69447a2c00d24d2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0f92-4911000000-8039b9febfa07df1dfef2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0h01-3922000000-a58f80dde976cf3482c92017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-004j-3923000000-ed37bdcf5878b9e30d532017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0002-2922000000-10a0c4b3ca7b9eeb08382017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-004m-2943000000-f86dd89ef589f060ad0e2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0udm-2930000000-8fa3fa69447a2c00d24d2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0f92-4911000000-8039b9febfa07df1dfef2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0h01-3922000000-a58f80dde976cf3482c92018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-004j-3923000000-ed37bdcf5878b9e30d532018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-EI-TOF (Non-derivatized)splash10-0002-2922000000-10a0c4b3ca7b9eeb08382018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0f89-2900000000-903284e84125f00053d82017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-MS (1 TMS) - 70eV, Positivesplash10-0udi-6690000000-8911135342137aee542a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0ugj-1900000000-8d2e6e8781fe4a7b85da2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-0900000000-64549c9ec8345bb7a1272017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-0900000000-d5fc17522bb51634b00a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-1900000000-2c17872516cbb4cbc6a92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-001i-9400000000-38769d704f2257c021592017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-001i-9000000000-e7765ef155a6a4fa242e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-001i-9000000000-c9e81ee7f894941ffb452017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-0900000000-552a7fe608d77210215a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-0900000000-1097b3bf9a60833d8bcb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-0002-2900000000-f2e8a75d0e206d470b042017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , negative-QTOFsplash10-001i-9000000000-7831840bb336d6ae84262017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QQ , negative-QTOFsplash10-0002-0900000000-29939040c55a2bee838f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QQ , negative-QTOFsplash10-0002-2900000000-e28621caad476d6a130d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QQ , negative-QTOFsplash10-01q9-9600000000-725e3ff10b6c5f931c5d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QQ , negative-QTOFsplash10-001i-9000000000-bd26a04c67cde316f8532017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QQ , negative-QTOFsplash10-00lr-9000000000-46b54316c345acb7ffb62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-QFT , negative-QTOFsplash10-0002-0900000000-7870788ac0e256c80d322017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , positive-QTOFsplash10-0a4i-0900000000-f7a27bfdc07a4e8b2aab2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol LC-ESI-ITFT , positive-QTOFsplash10-0002-0900000000-4b34d2720959ef6a58652017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 10V, Positive-QTOFsplash10-0002-0900000000-b3dd761ab88857f9bad02016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 20V, Positive-QTOFsplash10-0a4i-1900000000-cd0ca4bf6cec1caedfb72016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 40V, Positive-QTOFsplash10-03du-7900000000-be59cfe827dc3cb3ec672016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 10V, Negative-QTOFsplash10-0udi-3900000000-2688d8db106dd3eef9562016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 20V, Negative-QTOFsplash10-052f-9300000000-8a8866688fa37778b4ba2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol 40V, Negative-QTOFsplash10-052f-9200000000-d0f3f0169a43e5d83aa92016-08-03Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC06552
BioCyc IDHYDROXYATRAZINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16553
PDB IDNot Available
ChEBI ID18316
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available