2,5-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0049 |
| Compound Name: | 2,5-dimethyl-4-[1-(3-methylbutanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 280.37 |
| Molecular Formula: | C14 H24 N4 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)N1C(C)=NN(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6366 |
| logD: | 1.6365 |
| logSw: | -1.6357 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.554 |
| InChI Key: | DHEVTKOXXYNQOG-UHFFFAOYSA-N |