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 |