N-nitro-1-{2-oxo-2-[(1,3,4-thiadiazol-2-yl)amino]ethyl}-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
N-nitro-1-{2-oxo-2-[(1,3,4-thiadiazol-2-yl)amino]ethyl}-1H-1,2,4-triazol-4-ium-4-aminide
N-nitro-1-{2-oxo-2-[(1,3,4-thiadiazol-2-yl)amino]ethyl}-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8010-0017 |
| Compound Name: | N-nitro-1-{2-oxo-2-[(1,3,4-thiadiazol-2-yl)amino]ethyl}-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 270.23 |
| Molecular Formula: | C6 H6 N8 O3 S |
| Smiles: | C(C(Nc1nncs1)=O)n1c[n+](cn1)[N-][N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.2806 |
| logD: | -1.2858 |
| logSw: | -1.7623 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.28 |
| InChI Key: | ACXJACATYFKVJT-UHFFFAOYSA-N |