Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
TL;DR: Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-05-4) is a chemical compound with molecular formula C20H16N6 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile
Also Known As: BENZONITRILE, 4-(6-(1-PYRROLIDINYL)-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-, 4-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzonitrile, 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile, 4-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]benzonitrile, BRN 6439699
| Molecular Formula | C20H16N6 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.14365 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 87540-05-4 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C#N |
| InChIKey | USXONRHOMIBRPS-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-05-4), with molecular formula C20H16N6 and molecular weight 340.14 g/mol. IUPAC: 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Property Insights of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
The XLogP value of 3.0 indicates that Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- has 0 hydrogen bond donor(s) and 5 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 Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The CAS number of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 87540-05-4.
What is the molecular formula of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular formula of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is C20H16N6.
What is the molecular weight of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular weight of Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 340.14 g/mol.
Where can I buy Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
You can request a quote for Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.