N-(4-methyl-3-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(4-methyl-3-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(4-methyl-3-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y020-7715 |
| Compound Name: | N-(4-methyl-3-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 316.27 |
| Molecular Formula: | C13 H12 N6 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)NC(C1CC(Nc2ncnn12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.707 |
| logD: | 0.7044 |
| logSw: | -2.1293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.695 |
| InChI Key: | AAVPRMBZFJPHHR-JTQLQIEISA-N |