4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8012-9514 |
| Compound Name: | 4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 235.2 |
| Molecular Formula: | C9 H9 N5 O3 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)N1C(N(C=N1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3365 |
| logD: | 0.3365 |
| logSw: | -1.8645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.014 |
| InChI Key: | SXKAESAMNSZLPZ-UHFFFAOYSA-N |