3-{[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
3-{[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | T630-1111 |
| Compound Name: | 3-{[4-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 295.39 |
| Molecular Formula: | C17 H21 N5 |
| Smiles: | CCc1nnc(C2CCN(CC2)Cc2cccc(C#N)c2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.7541 |
| logD: | 1.4391 |
| logSw: | -1.6712 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.803 |
| InChI Key: | GXTIKYUEVKCRQJ-UHFFFAOYSA-N |