EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17N3O |
| Net Charge | 0 |
| Average Mass | 219.288 |
| Monoisotopic Mass | 219.13716 |
| SMILES | CC(=O)N1CCN(c2ccc(N)cc2)CC1 |
| InChI | InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9,13H2,1H3 |
| InChIKey | AFVUJJNEILZYJQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-(4-aminophenyl)-1-piperazinyl]ethanone (CHEBI:92497) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2622 | LINCS |