3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile
TL;DR: 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile (CAS 6111-71-3) is a chemical compound with molecular formula C8H10N6 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl(1,2,4-triazol-4-yl)amino]propanenitrile
Also Known As: 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile, 3,3'-((4H-1,2,4-triazol-4-yl)azanediyl)dipropanenitrile, 3-[2-cyanoethyl(1,2,4-triazol-4-yl)amino]propanenitrile
| Molecular Formula | C8H10N6 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 0.04346 |
| Topological Polar Surface Area | 81.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.0967 |
| Heavy Atoms | 14 |
| Complexity | 311.70374 |
Chemical Identifiers
| CAS Number | 6111-71-3 |
|---|---|
| SMILES | C1=NN=CN1N(CCC#N)CCC#N |
Product Overview
3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile (CAS 6111-71-3), with molecular formula C8H10N6 and molecular weight 190.10 g/mol. IUPAC: 3-[2-cyanoethyl(1,2,4-triazol-4-yl)amino]propanenitrile.
Chemical Property Profile of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile
Property Insights of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile
The XLogP value of 0.04346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile. The TPSA of 81.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile. Following Lipinski's Rule of Five, 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile 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 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile?
The CAS number of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile is 6111-71-3.
What is the molecular formula of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile?
The molecular formula of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile is C8H10N6.
What is the molecular weight of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile?
The molecular weight of 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile is 190.10 g/mol.
Where can I buy 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile?
You can request a quote for 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(4H-1,2,4-triazol-4-ylimino)dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.