methyl 5-amino-1-[2-(2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[2-(2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
methyl 5-amino-1-[2-(2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | C200-1558 |
| Compound Name: | methyl 5-amino-1-[2-(2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C13 H15 N5 O3 |
| Smiles: | Cc1ccccc1NC(Cn1c(c(C(=O)OC)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1855 |
| logD: | 0.1855 |
| logSw: | -1.9309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.822 |
| InChI Key: | IMBFHNDBOAJFMC-UHFFFAOYSA-N |