4-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
4-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | T629-0137 |
| Compound Name: | 4-{[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 307.4 |
| Molecular Formula: | C18 H21 N5 |
| Smiles: | C1CC(CN(C1)Cc1ccc(C#N)cc1)c1nnc(C2CC2)[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9096 |
| logD: | 0.9604 |
| logSw: | -2.1479 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.997 |
| InChI Key: | OOQQEVXJJXNKHU-INIZCTEOSA-N |