2-methyl-5-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1305 |
| Compound Name: | 2-methyl-5-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C17 H25 N5 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2cccn2C)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4281 |
| logD: | 2.4219 |
| logSw: | -2.3011 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.154 |
| InChI Key: | WQANTHNJYBIOAY-UHFFFAOYSA-N |