rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0084 |
| Compound Name: | rel-(6R,9S)-11-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C16 H24 N6 |
| Smiles: | CCn1c(C)c(CN2[C@H]3CC[C@@H]2Cn2c(C)nnc2C3)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1785 |
| logD: | -2.8452 |
| logSw: | -0.0338 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.914 |
| InChI Key: | GJZLPGKTMQGRKA-HUUCEWRRSA-N |