2,5-dimethyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2,5-dimethyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
2,5-dimethyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S794-0001 |
| Compound Name: | 2,5-dimethyl-4-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one--hydrogen chloride (1/1) |
| Molecular Weight: | 232.71 |
| Molecular Formula: | C9 H16 N4 O |
| Salt: | HCl |
| Smiles: | CC1=NN(C)C(N1C1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.716 |
| logD: | -3.473 |
| logSw: | -0.447 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.314 |
| InChI Key: | ATNZMDKSBLHKRY-UHFFFAOYSA-N |