3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine
3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | 1012-0003 |
| Compound Name: | 3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 205.17 |
| Molecular Formula: | C8 H7 N5 O2 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)c1nc(N)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3484 |
| logD: | 1.3448 |
| logSw: | -2.1024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.871 |
| InChI Key: | NTQPIRMIEKTLBR-UHFFFAOYSA-N |