2-(4-methoxyphenyl)-5-nitro-3-oxo-N-[(pyridin-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-[(pyridin-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-5-nitro-3-oxo-N-[(pyridin-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-0575 |
Compound Name: | 2-(4-methoxyphenyl)-5-nitro-3-oxo-N-[(pyridin-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 342.31 |
Molecular Formula: | C15 H14 N6 O4 |
Smiles: | COc1ccc(cc1)n1nc(c(NCc2ccccn2)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.6384 |
logD: | 1.6374 |
logSw: | -1.8248 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.493 |
InChI Key: | JLPPICIBRXVUIT-UHFFFAOYSA-N |