1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 2130-0074 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 401.3 |
| Molecular Formula: | C14 H11 N9 O6 |
| Smiles: | Cc1c(C(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 1.1756 |
| logD: | 1.1094 |
| logSw: | -2.1294 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 168.841 |
| InChI Key: | UCSNUEIIERLWFB-UHFFFAOYSA-N |