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CHEBI:83471 - terbutylazine-2-hydroxy

ChEBI IDCHEBI:83471
ChEBI Nameterbutylazine-2-hydroxy
Stars
DefinitionA diamino-1,3,5-triazine that is 1,3,5-triazin-2-ol substituted by a tert-butylamino group at position 4 and an ethylamino group at position 6. It is a metabolite of the herbicide terbutylazine,
Last Modified10 November 2014
DownloadsMolfile
FormulaC9H17N5O
Net Charge0
Average Mass211.269
Monoisotopic Mass211.14331
SMILESCCNc1nc(O)nc(NC(C)(C)C)n1
InChIInChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
InChIKeyOYTCZOJKXCTBHG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
terbutylazine-2-hydroxy (CHEBI:83471) has role marine xenobiotic metabolite (CHEBI:83399)
terbutylazine-2-hydroxy (CHEBI:83471) is a diamino-1,3,5-triazine (CHEBI:38170)
terbutylazine-2-hydroxy (CHEBI:83471) is a heteroaryl hydroxy compound (CHEBI:74818)
IUPAC Name 
4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol
Registry NumbersSources
Reaxys:7809080Reaxys
Citations