![4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile structure](/static/products/3384/338417-29-1.webp)
4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile
TL;DR: 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile (CAS 338417-29-1) is a chemical compound with molecular formula C10H10N6 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(dimethylamino)tetrazol-1-yl]benzonitrile
Also Known As: 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile, 4-[5-(dimethylamino)tetrazol-1-yl]benzonitrile, 4-[5-(dimethylamino)-1H-1,2,3,4-tetraazol-1-yl]benzenecarbonitrile, 4C-014
| Molecular Formula | C10H10N6 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 0.59998 |
| Topological Polar Surface Area | 70.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0967 |
| Heavy Atoms | 16 |
| Complexity | 518.9874 |
Chemical Identifiers
| CAS Number | 338417-29-1 |
|---|---|
| SMILES | CN(C)C1=NN=NN1C2=CC=C(C=C2)C#N |
Product Overview
4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile (CAS 338417-29-1), with molecular formula C10H10N6 and molecular weight 214.10 g/mol. IUPAC: 4-[5-(dimethylamino)tetrazol-1-yl]benzonitrile.
Chemical Property Profile of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile
Property Insights of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile
The XLogP value of 0.59998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile. The TPSA of 70.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile 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 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile?
The CAS number of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile is 338417-29-1.
What is the molecular formula of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile?
The molecular formula of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile is C10H10N6.
What is the molecular weight of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile?
The molecular weight of 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile is 214.10 g/mol.
Where can I buy 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile?
You can request a quote for 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-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-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(dimethylamino)-1H-1,2,3,4-tetrazol-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.