5-(3-nitrophenyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
5-(3-nitrophenyl)-1H-1,2,4-triazole
5-(3-nitrophenyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8020-4303 |
| Compound Name: | 5-(3-nitrophenyl)-1H-1,2,4-triazole |
| Molecular Weight: | 190.16 |
| Molecular Formula: | C8 H6 N4 O2 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)c1ncn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6715 |
| logD: | 1.5457 |
| logSw: | -1.9102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.052 |
| InChI Key: | STXJRVLVLGGYPJ-UHFFFAOYSA-N |