methyl 5-amino-1-[4-(dimethylamino)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[4-(dimethylamino)phenyl]-1H-1,2,3-triazole-4-carboxylate
methyl 5-amino-1-[4-(dimethylamino)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8017-7332 |
| Compound Name: | methyl 5-amino-1-[4-(dimethylamino)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 261.28 |
| Molecular Formula: | C12 H15 N5 O2 |
| Smiles: | CN(C)c1ccc(cc1)n1c(c(C(=O)OC)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 0.9662 |
| logD: | 0.9652 |
| logSw: | -1.665 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.311 |
| InChI Key: | QRSGBCXICLOROW-UHFFFAOYSA-N |