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Definition A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group.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 ChemicalBook:CB3473256, eMolecules:26750368
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 Types Sources
11476505 PubMed citation Europe PMC
20299293 PubMed citation Europe PMC
22153354 PubMed citation Europe PMC
24062064 PubMed citation Europe PMC
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