4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-6671 |
| Compound Name: | 4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 254.27 |
| Molecular Formula: | C8 H10 N6 O2 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | -0.3537 |
| logD: | -0.7781 |
| logSw: | -0.8641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.494 |
| InChI Key: | HSSZLMOMPCPSKS-UHFFFAOYSA-N |