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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
ChEBI ID CHEBI:18316
Definition A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11942, CHEBI:20297, CHEBI:5800
Supplier Information eMolecules:30081926, ZINC000013540805
Download Molfile XML SDF
Formula C8H15N5O
Net Charge 0
Average Mass 197.23780
Monoisotopic Mass 197.12766
InChI 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)
InChIKey NFMIMWNQWAWNDW-UHFFFAOYSA-N
SMILES CCNc1nc(O)nc(NC(C)C)n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-hydroxyatrazine ChemIDplus
4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine KEGG COMPOUND
4-(ethylamino)-6-(isopropylamino)-s-triazin-2-ol ChemIDplus
Hydroxyatrazine KEGG COMPOUND
hydroxyatrazine UniProt
hydroxydechloroatrazine UM-BBD
Manual Xrefs Databases
c0161 UM-BBD
C06552 KEGG COMPOUND
HYDROXYATRAZINE MetaCyc
View more database links
Registry Numbers Types Sources
2163-68-0 CAS Registry Number KEGG COMPOUND
2163-68-0 CAS Registry Number ChemIDplus
612018 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
16 September 2016
General Comments
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29 Metabolite of Atrazine