1-[5-methyl-1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-methyl-1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
1-[5-methyl-1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | 3448-9047 |
| Compound Name: | 1-[5-methyl-1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C12 H12 N4 O3 |
| Smiles: | CC(c1c(C)n(c2ccc(cc2C)[N+]([O-])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0206 |
| logD: | 2.0206 |
| logSw: | -2.3724 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.989 |
| InChI Key: | RPRDYCCNASSGEO-UHFFFAOYSA-N |