(3R,5S)-1-methyl-5-[7-({4-[(propan-2-yl)oxy]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)oxy]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)oxy]phenyl}methyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-1966 |
| Compound Name: | (3R,5S)-1-methyl-5-[7-({4-[(propan-2-yl)oxy]phenyl}methyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]pyrrolidin-3-ol |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C20 H29 N5 O2 |
| Smiles: | CC(C)Oc1ccc(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2C)O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7387 |
| logD: | 0.681 |
| logSw: | -1.4619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.809 |
| InChI Key: | TWWNGYOAPZCBCV-WMZOPIPTSA-N |