4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile
TL;DR: 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile (CAS 67433-63-0) is a chemical compound with molecular formula C13H8N8 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile
Also Known As: 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile, 4-(5-Methyltetraazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidin-9-yl)benzonitrile, 4-(5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)BENZONITRILE, BENZONITRILE, 4-(5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)-, 4-(5-methyl-[1,2,4]triazolo[[?]]tetrazolo[[?]]pyrimidin-9-yl)benzonitrile
| Molecular Formula | C13H8N8 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0872 |
| Heavy Atoms | 21 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 67433-63-0 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=NN=NN13)C4=CC=C(C=C4)C#N |
| InChIKey | JOTNRTDGGLSAMF-UHFFFAOYSA-N |
Product Overview
4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile (CAS 67433-63-0), with molecular formula C13H8N8 and molecular weight 276.09 g/mol. IUPAC: 4-(7-methyl-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl)benzonitrile.
Chemical Property Profile of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile
Property Insights of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile has 0 hydrogen bond donor(s) and 6 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 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile?
The CAS number of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile is 67433-63-0.
What is the molecular formula of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile?
The molecular formula of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile is C13H8N8.
What is the molecular weight of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile?
The molecular weight of 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile is 276.09 g/mol.
Where can I buy 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile?
You can request a quote for 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidin-9-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.