EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:113111 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-4-triazolecarbohydrazide

ChEBI IDCHEBI:113111
ChEBI Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-4-triazolecarbohydrazide
Stars
DownloadsMolfile
FormulaC21H21N9O3
Net Charge0
Average Mass447.459
Monoisotopic Mass447.17674
SMILESCC(NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)=C1C=CC=CC1=O
InChIInChI=1S/C21H21N9O3/c1-13(15-10-6-7-11-17(15)31)23-25-21(32)18-16(12-29(2)14-8-4-3-5-9-14)30(28-24-18)20-19(22)26-33-27-20/h3-11,23H,12H2,1-2H3,(H2,22,26)(H,25,32)
InChIKeyHKBFZLUNHZHUOX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-4-triazolecarbohydrazide (CHEBI:113111) is a quinomethanes (CHEBI:52404)
Manual XrefsDatabases
LSM-24521LINCS