2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]ethyl nitrate
Chemical Structure Depiction of
2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]ethyl nitrate
2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]ethyl nitrate
Compound characteristics
| Compound ID: | 8012-5662 |
| Compound Name: | 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido]ethyl nitrate |
| Molecular Weight: | 260.16 |
| Molecular Formula: | C6 H8 N6 O6 |
| Smiles: | C(CO[N+]([O-])=O)NC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4127 |
| logD: | -0.4127 |
| logSw: | -1.5724 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.15 |
| InChI Key: | ORKKFEBPZKYKCR-UHFFFAOYSA-N |