EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H8N6 |
| Net Charge | 0 |
| Average Mass | 236.238 |
| Monoisotopic Mass | 236.08104 |
| SMILES | c1ccc(-n2ncc3c2ncn2cnnc32)cc1 |
| InChI | InChI=1S/C12H8N6/c1-2-4-9(5-3-1)18-11-10(6-15-18)12-16-14-8-17(12)7-13-11/h1-8H |
| InChIKey | QSFYGYPZUVQYMC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16463 (CHEBI:105100) is a pyrazoles (CHEBI:26410) |
| LSM-16463 (CHEBI:105100) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16463 | LINCS |