(6S)-N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Chemical Structure Depiction of
(6S)-N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
(6S)-N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Compound characteristics
| Compound ID: | SD69-0500 |
| Compound Name: | (6S)-N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CCN(Cc1c(C)nn(CC)c1C)C(c1c2C(N[C@@H](CC(C)C)Cn2nn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0789 |
| logD: | 1.0789 |
| logSw: | -1.5395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.166 |
| InChI Key: | DWCLKCBIEXGVOI-HNNXBMFYSA-N |