methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate
methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | K236-0021 |
| Compound Name: | methyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C10 H10 N4 O2 |
| Smiles: | COC(c1c(N)n(c2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7546 |
| logD: | 0.7546 |
| logSw: | -1.2365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.506 |
| InChI Key: | XELSIYWNEIGXMY-UHFFFAOYSA-N |