3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile
TL;DR: 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile (CAS 5118-74-1) is a chemical compound with molecular formula C10H8N6 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile
Also Known As: 2-m-cyanophenyl-4,6-diamino-s-triazine, 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile, 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile (en)Benzonitr, 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile (en)Benzonitrile, 3-(4,6-diamino-1,3,5-triazin-2-yl)- (en)
| Molecular Formula | C10H8N6 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 0.57468 |
| Topological Polar Surface Area | 114.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.08104 |
| Heavy Atoms | 16 |
| Complexity | 551.5122 |
Chemical Identifiers
| CAS Number | 5118-74-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C2=NC(=NC(=N2)N)N)C#N |
Product Overview
3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile (CAS 5118-74-1), with molecular formula C10H8N6 and molecular weight 212.08 g/mol. IUPAC: 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile.
Chemical Property Profile of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile
Property Insights of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile
The XLogP value of 0.57468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile. The TPSA of 114.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile. Following Lipinski's Rule of Five, 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile has 2 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 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile?
The CAS number of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile is 5118-74-1.
What is the molecular formula of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile?
The molecular formula of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile is C10H8N6.
What is the molecular weight of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile?
The molecular weight of 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile is 212.08 g/mol.
Where can I buy 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile?
You can request a quote for 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-Diamino-1,3,5-triazin-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.