1H-1,2,4-Triazole, 3-bromo-5-methyl-
TL;DR: 1H-1,2,4-Triazole, 3-bromo-5-methyl- (CAS 15777-57-8) is a chemical compound with molecular formula C3H4BrN3 and molecular weight 160.95886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-methyl-1H-1,2,4-triazole
Also Known As: 3-Bromo-5-methyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-bromo-5-methyl-, s-Triazole, 3-bromo-5-methyl-, 3-Bromo-5-methyl-4H-1,2,4-triazole, 5-Bromo-3-methyl-1H-1,2,4-triazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4BrN3 |
| Molecular Weight | 160.95886 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.95886 Da |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
| SMILES | CC1=NC(=NN1)Br |
| InChIKey | BMTIGKUJWSEHHI-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole, 3-bromo-5-methyl-
Property Insights of 1H-1,2,4-Triazole, 3-bromo-5-methyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-bromo-5-methyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole, 3-bromo-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-bromo-5-methyl- has 1 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 1H-1,2,4-Triazole, 3-bromo-5-methyl-?
The CAS number of 1H-1,2,4-Triazole, 3-bromo-5-methyl- is 15777-57-8.
What is the molecular formula of 1H-1,2,4-Triazole, 3-bromo-5-methyl-?
The molecular formula of 1H-1,2,4-Triazole, 3-bromo-5-methyl- is C3H4BrN3.
What is the molecular weight of 1H-1,2,4-Triazole, 3-bromo-5-methyl-?
The molecular weight of 1H-1,2,4-Triazole, 3-bromo-5-methyl- is 160.95886 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-bromo-5-methyl-?
You can request a quote for 1H-1,2,4-Triazole, 3-bromo-5-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole, 3-bromo-5-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole, 3-bromo-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.