3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y509-3541 |
| Compound Name: | 3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| Molecular Weight: | 247.29 |
| Molecular Formula: | C13 H17 N3 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cncn1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6998 |
| logD: | -0.4846 |
| logSw: | -1.5066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.167 |
| InChI Key: | NTUMBFHGMUZUBG-UHFFFAOYSA-N |