4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P935-1579 |
| Compound Name: | 4-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 335.41 |
| Molecular Formula: | C19 H21 N5 O |
| Smiles: | C1CCN(C(C1)c1nncn1CC1CC1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9433 |
| logD: | 1.9433 |
| logSw: | -2.1208 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.245 |
| InChI Key: | CKGXGWMJMNPIOJ-KRWDZBQOSA-N |