2-methyl-4-(propan-2-yl)-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-(propan-2-yl)-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-(propan-2-yl)-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1301 |
| Compound Name: | 2-methyl-4-(propan-2-yl)-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C17 H23 N5 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2ccncc2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.121 |
| logD: | 1.1148 |
| logSw: | -1.096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.165 |
| InChI Key: | CDICLCMIKWNGQS-UHFFFAOYSA-N |