TL;DR: 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine (CAS 117053-53-9) is a chemical compound with molecular formula C10H8N6 and molecular weight 212.08104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-phenyl-6H-pyrazolo[3,4-e][1,2,4]triazin-3-amine
Also Known As: NCI60_009545, 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine, 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine, 7-phenyl-6H-pyrazolo[3,4-e][1,2,4]triazin-3-amine
| Molecular Formula | C10H8N6 |
| Molecular Weight | 212.08104 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.08104 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | C1=CC=C(C=C1)C2=C3C(=NN2)N=C(N=N3)N |
| InChIKey | SREKPZQIQWKBDH-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine. Following Lipinski's Rule of Five, 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine 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 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine is 117053-53-9.
The molecular formula of 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine is C10H8N6.
The molecular weight of 7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine is 212.08104 g/mol.
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