2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline
Chemical Structure Depiction of
2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline
2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline
Compound characteristics
| Compound ID: | 8020-6521 |
| Compound Name: | 2-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C14 H11 N5 O2 |
| Smiles: | c1ccc(c(c1)c1nc(c2ccc(cc2)[N+]([O-])=O)[nH]n1)N |
| Stereo: | ACHIRAL |
| logP: | 2.9861 |
| logD: | 2.893 |
| logSw: | -3.579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.229 |
| InChI Key: | FNBFKRCRZGSKHV-UHFFFAOYSA-N |