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CHEBI:18316 - 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol

ChEBI IDCHEBI:18316
ChEBI Name4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
Stars
DefinitionA monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group.
Secondary ChEBI IDsCHEBI:5800, CHEBI:11942, CHEBI:20297
Last Modified16 September 2016
DownloadsMolfile
FormulaC8H15N5O
Net Charge0
Average Mass197.242
Monoisotopic Mass197.12766
SMILESCCNc1nc(O)nc(NC(C)C)n1
InChIInChI=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)
InChIKeyNFMIMWNQWAWNDW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) has functional parent atrazine (CHEBI:15930)
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) has role human xenobiotic metabolite (CHEBI:76967)
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) has role marine xenobiotic metabolite (CHEBI:83399)
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) is a diamino-1,3,5-triazine (CHEBI:38170)
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) is a monohydroxy-1,3,5-triazine (CHEBI:38172)
IUPAC Name 
4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol
Synonyms  Source
2-hydroxyatrazineChemIDplus
4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazineKEGG COMPOUND
4-(ethylamino)-6-(isopropylamino)-s-triazin-2-olChemIDplus
HydroxyatrazineKEGG COMPOUND
hydroxydechloroatrazineUM-BBD
UniProt Name  Source
hydroxyatrazineUniProt
Manual XrefsDatabases
c0161UM-BBD
C06552KEGG COMPOUND
C06552KEGG COMPOUND
HYDROXYATRAZINEMetaCyc
Registry NumbersSources
Reaxys:612018Reaxys
CAS:2163-68-0KEGG COMPOUND
CAS:2163-68-0ChemIDplus
Citations