1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}pentan-1-one
Chemical Structure Depiction of
1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}pentan-1-one
1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}pentan-1-one
Compound characteristics
| Compound ID: | L886-0479 |
| Compound Name: | 1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}pentan-1-one |
| Molecular Weight: | 362.5 |
| Molecular Formula: | C17 H26 N6 O S |
| Smiles: | CCCCC(N1CCc2c(C1)c(c1nnc(n1CC)SC)nn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8424 |
| logD: | 1.8041 |
| logSw: | -1.8563 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.309 |
| InChI Key: | VOEXRMRQADLCHM-UHFFFAOYSA-N |