6-methyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Chemical Structure Depiction of
6-methyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
6-methyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
Compound characteristics
| Compound ID: | D052-0139 |
| Compound Name: | 6-methyl-3-(4-nitrophenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
| Molecular Weight: | 300.23 |
| Molecular Formula: | C12 H8 N6 O4 |
| Smiles: | CN1C(c2c(NC1=O)nnc(c1ccc(cc1)[N+]([O-])=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1956 |
| logD: | 0.8977 |
| logSw: | -2.304 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.763 |
| InChI Key: | WUFYYGMFIMTSBE-UHFFFAOYSA-N |