3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Chemical Structure Depiction of
3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Compound characteristics
| Compound ID: | T149-1545 |
| Compound Name: | 3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid |
| Molecular Weight: | 258.28 |
| Molecular Formula: | C13 H14 N4 O2 |
| Smiles: | C1CCc2nnc(c3cccnc3)n2C(C1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0604 |
| logD: | -3.8502 |
| logSw: | -0.4113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.188 |
| InChI Key: | YTJZAWWZKWSYIV-JTQLQIEISA-N |