2,5-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0180 |
| Compound Name: | 2,5-dimethyl-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C16 H23 N5 O |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1ccc(C)cn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8708 |
| logD: | 1.0755 |
| logSw: | -1.9639 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.527 |
| InChI Key: | MQCVRMAHFNEGQL-UHFFFAOYSA-N |