5-tert-butyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid
Chemical Structure Depiction of
5-tert-butyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid
5-tert-butyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4701 |
| Compound Name: | 5-tert-butyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid |
| Molecular Weight: | 234.25 |
| Molecular Formula: | C11 H14 N4 O2 |
| Smiles: | Cc1nnc2nc(cc(C(C)(C)C)n12)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.941 |
| logD: | -3.2909 |
| logSw: | -1.1217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.751 |
| InChI Key: | IJSDWAQAWWRUSS-UHFFFAOYSA-N |