3-methyl-5-phenyl-1H-1,2,4-triazole
TL;DR: 3-methyl-5-phenyl-1H-1,2,4-triazole (CAS 3213-91-0) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-1H-1,2,4-triazole
Also Known As: 3-methyl-5-phenyl-1H-1,2,4-triazole, 5-methyl-3-phenyl-1H-1,2,4-triazole, 3-Methyl-5-phenyl-4H-1,2,4-triazole, 3-phenyl-5-methyl-1,2,4-triazole, 3-Phenyl-5-methyl-1H-1,2,4-triazole
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 3213-91-0 |
|---|---|
| SMILES | CC1=NC(=NN1)C2=CC=CC=C2 |
| InChIKey | UJCLXNPHJKRLPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-5-phenyl-1H-1,2,4-triazole (CAS 3213-91-0), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 5-methyl-3-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-methyl-5-phenyl-1H-1,2,4-triazole
Property Insights of 3-methyl-5-phenyl-1H-1,2,4-triazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-phenyl-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.6 Ų, 3-methyl-5-phenyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5-phenyl-1H-1,2,4-triazole 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
Frequently Asked Questions
What is the CAS number of 3-methyl-5-phenyl-1H-1,2,4-triazole?
The CAS number of 3-methyl-5-phenyl-1H-1,2,4-triazole is 3213-91-0.
What is the molecular formula of 3-methyl-5-phenyl-1H-1,2,4-triazole?
The molecular formula of 3-methyl-5-phenyl-1H-1,2,4-triazole is C9H9N3.
What is the molecular weight of 3-methyl-5-phenyl-1H-1,2,4-triazole?
The molecular weight of 3-methyl-5-phenyl-1H-1,2,4-triazole is 159.08 g/mol.
Where can I buy 3-methyl-5-phenyl-1H-1,2,4-triazole?
You can request a quote for 3-methyl-5-phenyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-phenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-phenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.