2-[(5-methyl-6-nitro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-3(7H)-yl)methoxy]ethyl acetate
Chemical Structure Depiction of
2-[(5-methyl-6-nitro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-3(7H)-yl)methoxy]ethyl acetate
2-[(5-methyl-6-nitro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-3(7H)-yl)methoxy]ethyl acetate
Compound characteristics
| Compound ID: | 8008-2409 |
| Compound Name: | 2-[(5-methyl-6-nitro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-3(7H)-yl)methoxy]ethyl acetate |
| Molecular Weight: | 311.25 |
| Molecular Formula: | C11 H13 N5 O6 |
| Smiles: | CC1=C(C(N2C(=N1)N(COCCOC(C)=O)C=N2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -1.1952 |
| logD: | -1.1989 |
| logSw: | -0.5567 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 106.017 |
| InChI Key: | ZJTZGWHGDYIYGV-UHFFFAOYSA-N |