453556-96-2

Basic information

• Product Name: 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-
• CAS NO: 453556-96-2
• Molecular Formula: C15H9N5
• Molecular Weight: 259.27
• Mol File: 453556-96-2.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-(453556-96-2)
• EPA Substance Registry System: 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-(453556-96-2)

Safety Data

• Hazardous Substances Data: 453556-96-2(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 17 carbon (C) atoms, 9 hydrogen (H) atoms, and 7 nitrogen (N) atoms.

Explanation

This describes the arrangement of atoms and the type of chemical bonds within the molecule. The compound is a triazine derivative with a carbonitrile group, a phenyl group, and a pyridinyl group attached to specific positions in the triazine ring.

Explanation

The compound belongs to a class of chemical compounds called triazines, which are six-membered heterocyclic compounds containing four carbon atoms and two nitrogen atoms.

Explanation

A carbonitrile group is a functional group consisting of a carbon atom triple-bonded to a nitrogen atom (C≡N). In this compound, the carbonitrile group is attached to the 5th position of the triazine ring.

Explanation

A phenyl group is an aromatic ring consisting of six carbon atoms with alternating single and double bonds (C6H5). In this compound, the phenyl group is attached to the 6th position of the triazine ring.

Explanation

A pyridinyl group is a heterocyclic aromatic ring consisting of five carbon atoms and one nitrogen atom (C5H4N). In this compound, the pyridinyl group is attached to the 3rd position of the triazine ring.

Explanation

The compound has been investigated for its possible biological activities, which could include interactions with biological molecules or cellular processes.

Explanation

Due to its potential biological properties, the compound may be relevant for the development of new drugs or therapeutic agents.

Explanation

The compound's potential biological properties and pharmacological activities make it a candidate for further research and development in the pharmaceutical industry.

Explanation

The compound could have multiple effects on biological systems, which may be explored for therapeutic purposes. Further research is needed to fully understand its properties and potential uses.

Chemical Structure

1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-

Type of Compound

Triazine derivative

Carbonitrile Group

CN

Phenyl Substituent

C6H5

Pyridinyl Substituent

C5H4N

Potential Biological Properties

Studied for its potential biological properties

Interest in Medicinal Chemistry

Of interest in the field of medicinal chemistry

Applications in Pharmaceutical Development

May have applications in the development of pharmaceuticals

Pharmacological Activities

May exhibit various pharmacological activities

Upstream product

• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 453556-95-1 6-phenyl-3-(2'-pyridyl)-1,2,4-triazine-4-oxide 
• 1121-60-4 pyridine-2-carbaldehyde 

Downstream Products

• 453556-97-3 6-cyano-5-phenyl-2-(2'-pyridyl)-3,4-cyclopentenopyridine 
• 453556-98-4 6-cyano-5-phenyl-2,2'-bipyridine 
• 453556-99-5 6-carbamoyl-5-phenyl-2-(2'-pyridyl)-3,4-cyclopentenopyridine 
• 453557-01-2 6-ethoxycarbonyl-5-phenyl-2-(2'-pyridyl)-3,4-cyclopentenopyridine 
• 453557-00-1 4-phenyl-1-(2-pyridyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxylic acid 
• 680572-25-2 1-[6-phenyl-3-(2-pyridyl)-1,2,4-triazin-5-yl]-2-phenyl-1,2-dicarba-closo-dodecaborane 
• 49772-15-8 6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5(4H)-one 

Relevant articles and documents

Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process

The interactions between substituted 5-R-3-(pyridyl-2)-1,2,4-triazines with in situ generated substituted aryne intermediates have been studied. The reaction afforded either inverse demand (ID) aza-Diels-Alder products or 1,2,4-triazine ring rearrangement (domino) products as major ones depending on the nature of both the substituents at the C5 position of the 1,2,4-triazine core or in the aryne moiety. The structures of the key products were confirmed based on X-ray data. Based on the density functional theoretical (DFT) studies of the Diels-Alder transition state geometries, the influence of the nature of arynes on the direction of the 1,2,4-triazine transformation has been proposed.

An Efficient Cyanide-Free Approach towards 1-(2-Pyridyl)isoquinoline-3-carbonitriles via the Reaction of 5-Phenacyl-1,2,4-triazines with 1,2-Dehydrobenzene in the Presence of Alkyl Nitrites

A cyanide-free method for the preparation of 1-(2-pyridyl)isoquinoline-3-carbonitriles (3-cyanoisoquinolines) was developed. The interaction of 5-phenacyl-3-(2-pyridyl)-1,2,4-triazines with 1,2-dehydrobenzene generated in situ from anthranilic acid and an

A versatile strategy for the synthesis of functionalized 2,2′-bi- and 2,2′:6′,2′-terpyridines via their 1,2,4-triazine analogues

A general synthetic route for the synthesis of functionalized bi- and terpyridines is reported. Functionalized 1,2,4-triazene 4-oxides 7 and 8 - obtained from the reaction of hydrazones 1 with pyridine aldehydes and followed by oxidation - are functionalized by introduction of a cyano group via nucleophilic aromatic substitution. The thus-obtained 5-cyano-1,2,4-triazines 9 and 10 undergo facile inverse-electron-demand Diels-Alder reactions with enamines and alkenes to yield functionalized bi- and terpyridines, respectively. The substituent at position 6 of the 1,2,4-triazene 4-oxides must be aromatic or heteroaromatic in order to allow their facile synthesis, but other substituents and reagents may vary. Each step of the synthetic route allows diversification, which makes the approach particularly useful for the facile synthesis of a large variety of functionalized bi- and terpyridines.