2,5-dimethyl-4-{1-[(1-methyl-1H-pyrrol-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-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0203 |
| Compound Name: | 2,5-dimethyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 289.38 |
| Molecular Formula: | C15 H23 N5 O |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1cccn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6685 |
| logD: | 1.1946 |
| logSw: | -1.7116 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.792 |
| InChI Key: | POSLIQTVKVMPLZ-UHFFFAOYSA-N |