TL;DR: 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 160290-42-6) is a chemical compound with molecular formula C11H7ClN4 and molecular weight 230.03592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 7-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine, J2.049.117E, 1D-042, [1,2,4]Triazolo[1,5-a]pyrimidine, 7-(4-chlorophenyl)-
| Molecular Formula | C11H7ClN4 |
| Molecular Weight | 230.03592 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.03592 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | C1=CC(=CC=C1C2=CC=NC3=NC=NN23)Cl |
| InChIKey | DYJZXJFZHSVISG-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine. With a topological polar surface area (TPSA) of 43.1 Ų, 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is 160290-42-6.
The molecular formula of 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is C11H7ClN4.
The molecular weight of 7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is 230.03592 g/mol.
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