EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H10N4O |
| Net Charge | 0 |
| Average Mass | 226.239 |
| Monoisotopic Mass | 226.08546 |
| SMILES | COc1ccc2nnc(-c3ccccc3)n2n1 |
| InChI | InChI=1S/C12H10N4O/c1-17-11-8-7-10-13-14-12(16(10)15-11)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChIKey | ZKAUQAJMTRMCCA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CHEBI:114225) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25686 | LINCS |