![N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide structure](/static/products/340/340968-40-3.png)
N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide
TL;DR: N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide (CAS 340968-40-3) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
Also Known As: BAS 01964570, N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide, AB00092029-01, Acetamide, N-[5-(4-methylphenyl)-1,2,4-triazol-2-yl]-, N-(5-p-Tolyl-4H-[1,2,4]triazol-3-yl)-acetamide
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 340968-40-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C |
| InChIKey | KOECQFWEBIBVEN-UHFFFAOYSA-N |
Product Overview
N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide (CAS 340968-40-3), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide
Property Insights of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide. Following Lipinski's Rule of Five, N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide has 2 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 N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide?
The CAS number of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide is 340968-40-3.
What is the molecular formula of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide?
The molecular formula of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide is C11H12N4O.
What is the molecular weight of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide?
The molecular weight of N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide is 216.10 g/mol.
Where can I buy N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide?
You can request a quote for N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.