TL;DR: 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro- (CAS 1135074-15-5) is a chemical compound with molecular formula C4H3ClN6 and molecular weight 170.01077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-2H-triazolo[4,5-d]pyrimidin-5-amine
Also Known As: 7-chloro-2H-triazolo[4,5-d]pyrimidin-5-amine, 2-amino-6-chloro-8-azapurine, 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro-, 7-Chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, PS-J-061
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H3ClN6 |
| Molecular Weight | 170.01077 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.01077 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | C12=NNN=C1N=C(N=C2Cl)N |
| InChIKey | HHVGSGWNKPENEQ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro-. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro-. Following Lipinski's Rule of Five, 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro- is 1135074-15-5.
The molecular formula of 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro- is C4H3ClN6.
The molecular weight of 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine, 7-chloro- is 170.01077 g/mol.
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