2-methyl-5-(piperidin-4-yl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-methyl-5-(piperidin-4-yl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
2-methyl-5-(piperidin-4-yl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S559-0004 |
| Compound Name: | 2-methyl-5-(piperidin-4-yl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1) |
| Molecular Weight: | 260.76 |
| Molecular Formula: | C11 H20 N4 O |
| Salt: | HCl |
| Smiles: | CC(C)N1C(C2CCNCC2)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.1594 |
| logD: | -4.8065 |
| logSw: | -0.4975 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.242 |
| InChI Key: | QYXHEZNSQSQLRO-UHFFFAOYSA-N |