2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-1959 |
| Compound Name: | 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 395.85 |
| Molecular Formula: | C18 H18 Cl N9 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])c1nc2c3cn[nH]c3ncn2n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8441 |
| logD: | 2.7605 |
| logSw: | -3.5017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.112 |
| InChI Key: | MQOXXTGPLOBCFA-UHFFFAOYSA-N |