4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile | CAS No. 577778-58-6

4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile

Basic Information

CAS Number

577778-58-6

Molecular Formula

C13H8N6

Molecular Weight

237.27 g/mol

AD

Basic Physical Properties

Boiling Point

594.7±60.0℃ at 760 mmHg

Density

1.45±0.1 g/cm3 (20 ºC 760 Torr),

C1=CN=CC=C1C2=NC(=NN2)C3=CC(=NC=C3)C#N

InChI

InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)

InChIKey

UBVZQGOVTLIHLH-UHFFFAOYSA-N

LogP

2.23712

Topological Polar Surface Area

67.35 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

344

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (FYX-051)'
  • MFCD17167057
  • 5-(2-cyano-4-pyridyl)-3-(4-pyridyl)-1,2,4-triazole
  • DTXSID80206462
  • SY116097
  • 4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE
  • 0J877412JV
  • TOPIROXOSTAT [WHO-DD]
  • EX-A1197
  • uriadec
  • SCHEMBL18056618
  • BCP09957
  • 2-Pyridinecarbonitrile, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
  • GTPL10592
  • UNII-0J877412JV
  • Q15725832
  • 4-(5-pyridin-4-yl-1H-(1,2,4) triazol-3-yl)pyridine-2-carbonitrile
  • TOPIROXOSTAT [MI]
  • AC-30740
  • UBVZQGOVTLIHLH-UHFFFAOYSA-N
  • Topiroxostat
  • NS00070900
  • CCG-266938
  • NCGC00378610-01
  • 4-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile
  • AS-56359
  • 4-[5-(PYRIDIN-4-YL)-4H-1,2,4-TRIAZOL-3-YL]PYRIDINE-2-CARBONITRILE
  • BDBM50267750
  • HY-14874
  • 4-(5-(Pyridin-4-yl)-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
  • 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

MDL Number

MFCD17167057

FAQ

What is 4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6)?

4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6) is a chemical compound containing a pyridine ring and a triazole group. It is known for its potential biological activity and is often used in medicinal chemistry research. The chemical formula is C12H8N6O, and it is a solid at room temperature with high molecular weight. This compound exhibits good solubility in polar solvents and is commonly synthesized for pharmaceutical applications.

What are the main uses of 4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting specific biochemical pathways. It may also find applications in agrochemicals and materials science due to its structural versatility. In research settings, it is used as a building block for synthesizing more complex molecules. Its unique combination of pyridine and triazole functionalities makes it valuable for designing compounds with enhanced therapeutic potential.

Is 4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6) safe?

The safety of 4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6) depends on its application and exposure conditions. It is generally considered safe when handled properly in laboratory settings. However, as with many organic compounds, it is advisable to use personal protective equipment (PPE) such as gloves and goggles to avoid skin contact or inhalation. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6) be stored?

4-[5-(4-Pyridinyl)-1H-1,2,4-triazol-3-yl]-2-pyridinecarbonitrile (CAS: 577778-58-6) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in sealed, airtight containers to prevent moisture absorption and degradation. Storage at temperatures below 25°C is recommended to maintain its stability and chemical integrity. Avoid contact with incompatible substances during storage.

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