(3R,5S)-1-methyl-5-(7-{[4-(propan-2-yl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-methyl-5-(7-{[4-(propan-2-yl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
(3R,5S)-1-methyl-5-(7-{[4-(propan-2-yl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-1730 |
| Compound Name: | (3R,5S)-1-methyl-5-(7-{[4-(propan-2-yl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-3-ol |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C20 H29 N5 O |
| Smiles: | CC(C)c1ccc(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2C)O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.4103 |
| logD: | 1.3526 |
| logSw: | -1.1565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.006 |
| InChI Key: | OHAUSAZIMQLAMP-QZTJIDSGSA-N |