4-nitro-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
Chemical Structure Depiction of
4-nitro-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
4-nitro-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole
Compound characteristics
| Compound ID: | C323-0017 |
| Compound Name: | 4-nitro-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-2H-1lambda~5~,2,3-triazole |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C12 H13 N5 O3 |
| Smiles: | C1CCN(C1)c1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1625 |
| logD: | 2.1625 |
| logSw: | -2.1169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.123 |
| InChI Key: | IDVFWSWPRWBZJN-UHFFFAOYSA-N |