CHEBI:91946 - 2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
ChEBI ID CHEBI:91946
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H14N4O2
Net Charge 0
Average Mass 294.309
Monoisotopic Mass 294.11168
InChI InChI=1S/C16H14N4O2/c21-14-11-8-4-5-9-12(11)15(22)20(14)16-17-13(18-19-16)10-6-2-1-3-7-10/h1-7,11-12H,8-9H2,(H,17,18,19)
InChIKey MIQGMTKINBACMG-UHFFFAOYSA-N
SMILES C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CC=C4
ChEBI Ontology
Outgoing 2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CHEBI:91946) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-1889 LINCS
View more database links