5-cyclopropyl-2-methyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-cyclopropyl-2-methyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
5-cyclopropyl-2-methyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S794-0002 |
| Compound Name: | 5-cyclopropyl-2-methyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1) |
| Molecular Weight: | 258.75 |
| Molecular Formula: | C11 H18 N4 O |
| Salt: | HCl |
| Smiles: | CN1C(N(C2CCNCC2)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0362 |
| logD: | -2.7209 |
| logSw: | -0.5277 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.802 |
| InChI Key: | WPVALHPFTAWVTN-UHFFFAOYSA-N |