EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N5O |
| Net Charge | 0 |
| Average Mass | 295.346 |
| Monoisotopic Mass | 295.14331 |
| SMILES | Cc1ccc(-c2cc(-c3c(C)nn(C)c(=O)c3N)nn2)cc1 |
| InChI | InChI=1S/C16H17N5O/c1-9-4-6-11(7-5-9)12-8-13(19-18-12)14-10(2)20-21(3)16(22)15(14)17/h4-8H,17H2,1-3H3,(H,18,19) |
| InChIKey | QBYGBWFAFPXSJS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone (CHEBI:117054) is a pyrazoles (CHEBI:26410) |
| 4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone (CHEBI:117054) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28501 | LINCS |