![5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile structure](/static/products/300/300391-77-9.png)
5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile
TL;DR: 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile (CAS 300391-77-9) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl)acetonitrile
Also Known As: 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile, 2-(4H,5H,6H-benzo[f]1,2,4-triazolo[4,3-a]azaperhydroepinyl)ethanenitrile, 4H-[1,2,4]Triazolo[4,3-a][1]benzazepine-1-acetonitrile, 5,6-dihydro-, 2-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl)acetonitrile, 2-(5,6-dihydro-4H-benzo[f][1,2,4]triazolo[4,3-a]azepin-1-yl)acetonitrile
| Molecular Formula | C13H12N4 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 1.82208 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.1062 |
| Heavy Atoms | 17 |
| Complexity | 591.7072 |
Chemical Identifiers
| CAS Number | 300391-77-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N3C(=NN=C3CC#N)C1 |
Product Overview
5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile (CAS 300391-77-9), with molecular formula C13H12N4 and molecular weight 224.11 g/mol. IUPAC: 2-(5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl)acetonitrile.
Chemical Property Profile of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile
Property Insights of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile
The XLogP value of 1.82208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile has 0 hydrogen bond donor(s) and 3 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 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile?
The CAS number of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile is 300391-77-9.
What is the molecular formula of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile?
The molecular formula of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile is C13H12N4.
What is the molecular weight of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile?
The molecular weight of 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile is 224.11 g/mol.
Where can I buy 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile?
You can request a quote for 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.