1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0631 |
| Compound Name: | 1-benzyl-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C12 H13 N3 O2 |
| Smiles: | CCc1c(C(O)=O)nnn1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2281 |
| logD: | -2.5677 |
| logSw: | -1.6594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.864 |
| InChI Key: | LAODOYJNMYOVDK-UHFFFAOYSA-N |