4-Phenyl-4H-1,2,4-triazole
TL;DR: 4-Phenyl-4H-1,2,4-triazole (CAS 16227-12-6) is a chemical compound with molecular formula C8H7N3 and molecular weight 145.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1,2,4-triazole
Also Known As: 4-PHENYL-4H-1,2,4-TRIAZOLE, 4-phenyl-1,2,4-triazole, 1H-1,2,4-Triazole, 4-phenyl-, 4-Phenyl-1H-1,2,4-triazole, 4H-1,2,4-Triazole, 4-phenyl-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7N3 |
| Molecular Weight | 145.064 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.064 Da |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
| SMILES | C1=CC=C(C=C1)N2C=NN=C2 |
| InChIKey | YAHHNSBXSDGEFB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenyl-4H-1,2,4-triazole
Property Insights of 4-Phenyl-4H-1,2,4-triazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 4-Phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Phenyl-4H-1,2,4-triazole?
The CAS number of 4-Phenyl-4H-1,2,4-triazole is 16227-12-6.
What is the molecular formula of 4-Phenyl-4H-1,2,4-triazole?
The molecular formula of 4-Phenyl-4H-1,2,4-triazole is C8H7N3.
What is the molecular weight of 4-Phenyl-4H-1,2,4-triazole?
The molecular weight of 4-Phenyl-4H-1,2,4-triazole is 145.064 g/mol.
Where can I buy 4-Phenyl-4H-1,2,4-triazole?
You can request a quote for 4-Phenyl-4H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyl-4H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 4-Phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.