CHEBI:38965 - 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
ChEBI ID CHEBI:38965
ChEBI ASCII Name 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H7N3O
Net Charge 0
Average Mass 161.16070
Monoisotopic Mass 161.05891
InChI InChI=1S/C8H7N3O/c12-8-9-6-11(10-8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey QCDMYEHBRNFUQG-UHFFFAOYSA-N
SMILES O=c1ncn([nH]1)-c1ccccc1
ChEBI Ontology
Outgoing 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one (CHEBI:38965) has parent hydride 1-phenyl-1H-1,2,4-triazole (CHEBI:38967)
1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one (CHEBI:38965) is a triazoles (CHEBI:35727)
1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one (CHEBI:38965) is tautomer of 1-phenyl-1H-1,2,4-triazol-3-ol (CHEBI:38966)
Incoming 1-phenyl-1H-1,2,4-triazol-3-ol (CHEBI:38966) is tautomer of 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one (CHEBI:38965)
IUPAC Name
1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
Registry Numbers Types Sources
130911 Beilstein Registry Number Beilstein
4231-68-9 CAS Registry Number ChemIDplus
Last Modified
08 May 2013