3-methyl-1-{4-[7-(1-methyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[7-(1-methyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
3-methyl-1-{4-[7-(1-methyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S903-1626 |
| Compound Name: | 3-methyl-1-{4-[7-(1-methyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H29 N7 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(c1ccn(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1698 |
| logD: | 0.1696 |
| logSw: | -1.3044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.406 |
| InChI Key: | YIFDVNWGVRUCGO-UHFFFAOYSA-N |