EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17N3O2 |
| Net Charge | 0 |
| Average Mass | 295.342 |
| Monoisotopic Mass | 295.13208 |
| SMILES | Cc1nn(CCOc2ccccc2)c(=O)n1-c1ccccc1 |
| InChI | InChI=1S/C17H17N3O2/c1-14-18-19(12-13-22-16-10-6-3-7-11-16)17(21)20(14)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3 |
| InChIKey | VCQISNTXRSXCHM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one (CHEBI:116309) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27764 | LINCS |