5-[(2H-1,3-benzodioxol-5-yl)oxy]-1-methyl-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)oxy]-1-methyl-3-nitro-1H-1,2,4-triazole
5-[(2H-1,3-benzodioxol-5-yl)oxy]-1-methyl-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-5547 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)oxy]-1-methyl-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 264.19 |
| Molecular Formula: | C10 H8 N4 O5 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.3911 |
| logD: | 1.3911 |
| logSw: | -1.9993 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.054 |
| InChI Key: | JPFYJENBZNJCOY-UHFFFAOYSA-N |