2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate
Chemical Structure Depiction of
2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate
2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate
Compound characteristics
Compound ID: | 8005-3492 |
Compound Name: | 2-hydroxy-3-(1-methyl-3-nitro-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl nitrate |
Molecular Weight: | 263.16 |
Molecular Formula: | C6 H9 N5 O7 |
Smiles: | CN1C(N(CC(CO[N+]([O-])=O)O)C(=N1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -0.008 |
logD: | -0.008 |
logSw: | -0.6576 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 128.402 |
InChI Key: | COFGONPREMUHFP-BYPYZUCNSA-N |