5-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4606 |
| Compound Name: | 5-(3,4-dimethylphenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C19 H19 N5 O2 |
| Smiles: | Cc1ccc(cc1C)C1CC(c2cccc(c2)[N+]([O-])=O)n2c(N1)ncn2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2583 |
| logD: | 4.2582 |
| logSw: | -4.3667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | UNMIVHZCUNWJSY-UHFFFAOYSA-N |