1-{4-[7-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[7-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
1-{4-[7-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S903-1431 |
| Compound Name: | 1-{4-[7-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C21 H31 N7 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(c1cc(C)n(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4783 |
| logD: | 0.4781 |
| logSw: | -0.9755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.2 |
| InChI Key: | FFTQAERDEDECAR-UHFFFAOYSA-N |