rel-(5R,7S)-5-(4-ethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0422 |
| Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C20 H23 N5 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2cccc(C)c2)n2c(N1)nc(N)n2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5618 |
| logD: | 4.475 |
| logSw: | -4.4126 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.594 |
| InChI Key: | YVWSLWSKOYUHDI-ROUUACIJSA-N |