![2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile structure](/static/products/7276/727675-74-3.webp)
2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
TL;DR: 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile (CAS 727675-74-3) is a chemical compound with molecular formula C18H13N5 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
Also Known As: A3769/0159900, 2-[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile, [1,2,4]Triazolo[3,4-a]phthalazine-3-acetonitrile, 6-(4-methylphenyl)-, [6-(4-methylphenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile, 2-(6-(p-tolyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)acetonitrile
| Molecular Formula | C18H13N5 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.319 |
| Topological Polar Surface Area | 66.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1171 |
| Heavy Atoms | 23 |
| Complexity | 1054.6005 |
Chemical Identifiers
| CAS Number | 727675-74-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CC#N |
Product Overview
2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile (CAS 727675-74-3), with molecular formula C18H13N5 and molecular weight 299.12 g/mol. IUPAC: 2-[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile.
Chemical Property Profile of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
Property Insights of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
The XLogP value of 3.319 indicates that 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile has 0 hydrogen bond donor(s) and 4 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 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The CAS number of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is 727675-74-3.
What is the molecular formula of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The molecular formula of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is C18H13N5.
What is the molecular weight of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The molecular weight of 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is 299.12 g/mol.
Where can I buy 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
You can request a quote for 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(4-Methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.