2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8020-6526 |
| Compound Name: | 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 269.69 |
| Molecular Formula: | C10 H11 N5 O2 |
| Salt: | HCl |
| Smiles: | C(CN)c1nc(c2cccc(c2)[N+]([O-])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1212 |
| logD: | -1.1663 |
| logSw: | -2.1082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.551 |
| InChI Key: | IOFARJZAWHBNIB-UHFFFAOYSA-N |