EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13N3O |
| Net Charge | 0 |
| Average Mass | 215.256 |
| Monoisotopic Mass | 215.10586 |
| SMILES | O=c1ccc2ncc(C3=CCNCC3)c2n1 |
| InChI | InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16) |
| InChIKey | PJYVGMRFPFNZCT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (CHEBI:93436) is a pyrrolopyridine (CHEBI:46771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3839 | LINCS |