3-methyl-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
3-methyl-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
Compound characteristics
| Compound ID: | L886-0227 |
| Compound Name: | 3-methyl-1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C16 H24 N6 O S |
| Smiles: | CC(C)CC(N1CCc2c(C1)c(c1nnc(n1C)SC)nn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1757 |
| logD: | 1.1636 |
| logSw: | -1.7233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.394 |
| InChI Key: | FYAIINRHSUQLMB-UHFFFAOYSA-N |