EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H16F3N5O |
| Net Charge | 0 |
| Average Mass | 375.354 |
| Monoisotopic Mass | 375.13069 |
| SMILES | O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCCC1 |
| InChI | InChI=1S/C18H16F3N5O/c19-18(20,21)14-11-13(12-7-3-1-4-8-12)22-17-23-15(24-26(14)17)16(27)25-9-5-2-6-10-25/h1,3-4,7-8,11H,2,5-6,9-10H2 |
| InChIKey | DWJZGTNNROOOQQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-(1-piperidinyl)methanone (CHEBI:107902) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19279 | LINCS |