EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107487 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-triazolecarboxamide

Default Structure
ChEBI IDCHEBI:107487
ChEBI Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-triazolecarboxamide
Stars
DownloadsMolfile
FormulaC22H29N9O2
Net Charge0
Average Mass451.535
Monoisotopic Mass451.24442
SMILESCCCN(CCC)Cc1c(C(=O)NN=CC(C)=Cc2ccccc2)nnn1-c1nonc1N
InChIInChI=1S/C22H29N9O2/c1-4-11-30(12-5-2)15-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-14-16(3)13-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,27)(H,26,32)
InChIKeyNRDCILSNYFGEBU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-triazolecarboxamide (CHEBI:107487) is a aralkylamine (CHEBI:18000)
Manual XrefsDatabases
LSM-18842LINCS