N-(4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y020-7713 |
| Compound Name: | N-(4-nitrophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 302.25 |
| Molecular Formula: | C12 H10 N6 O4 |
| Smiles: | C1C(C(Nc2ccc(cc2)[N+]([O-])=O)=O)n2c(NC1=O)ncn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2249 |
| logD: | 0.2209 |
| logSw: | -2.0396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.996 |
| InChI Key: | QTHOSZZERJXDLK-VIFPVBQESA-N |