4-benzyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0003 |
| Compound Name: | 4-benzyl-2-methyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 308.81 |
| Molecular Formula: | C15 H20 N4 O |
| Salt: | HCl |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCNCC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7801 |
| logD: | -3.867 |
| logSw: | -1.4173 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.249 |
| InChI Key: | UUGJDILSPCTVAU-UHFFFAOYSA-N |