(3R,5S)-5-[7-(3,3-dimethylbutyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-5-[7-(3,3-dimethylbutyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-ol
(3R,5S)-5-[7-(3,3-dimethylbutyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-1343 |
| Compound Name: | (3R,5S)-5-[7-(3,3-dimethylbutyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-ol |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C21 H32 N6 O |
| Smiles: | CC(C)(C)CCN1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1Cc1ccncc1)O |
| Stereo: | ABSOLUTE |
| logP: | 0.7069 |
| logD: | 0.6824 |
| logSw: | -0.6192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.697 |
| InChI Key: | QYJPDUQDUQQZEX-QZTJIDSGSA-N |