5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
TL;DR: 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole (CAS 31409-49-1) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-5-methyl-1H-1,2,4-triazole
Also Known As: 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole, 3-(4-Methoxyphenyl)-5-methyl-4H-1,3,4-triazole, 5-(4-Methoxy-phenyl)-3-methyl-1H-[1,2,4]triazole, 3-(4-methoxyphenyl)-5-methyl-1H-1,2,4-triazole, 3-(4-Methoxyphenyl)-5-methyl-4H-1,2,4-triazole
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 31409-49-1 |
|---|---|
| SMILES | CC1=NC(=NN1)C2=CC=C(C=C2)OC |
| InChIKey | MEPBOCYRWAQUAL-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole (CAS 31409-49-1), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 3-(4-methoxyphenyl)-5-methyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
Property Insights of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 50.8 Ų, 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole?
The CAS number of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole is 31409-49-1.
What is the molecular formula of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole?
The molecular formula of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole is C10H11N3O.
What is the molecular weight of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole?
The molecular weight of 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole is 189.09 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole?
You can request a quote for 5-(4-Methoxyphenyl)-3-methyl-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 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.