2-methyl-4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0002 |
| Compound Name: | 2-methyl-4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 294.78 |
| Molecular Formula: | C14 H18 N4 O |
| Salt: | HCl |
| Smiles: | CN1C(N(C(C2CCNCC2)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1828 |
| logD: | -4.3481 |
| logSw: | -1.2757 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | NNYGQHIQGSDWQA-UHFFFAOYSA-N |