2,5-dimethyl-4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0088 |
| Compound Name: | 2,5-dimethyl-4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C15 H20 N6 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(c1cnc(C)cn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5567 |
| logD: | 0.5566 |
| logSw: | -0.8619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.891 |
| InChI Key: | LUKRFMXTNZPCRS-UHFFFAOYSA-N |