Cas no 1333319-50-8 (5-Methylpyridazine-3-carbonitrile)

5-Methylpyridazine-3-carbonitrile is a heterocyclic organic compound featuring a pyridazine core substituted with a methyl group at the 5-position and a nitrile functional group at the 3-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of nitrogen-containing heterocycles. Its nitrile group offers reactivity for further functionalization, enabling the construction of more complex molecules. The compound is characterized by its stability and compatibility with a range of reaction conditions, making it suitable for use in multi-step synthetic routes. It is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its potential toxicity.
5-Methylpyridazine-3-carbonitrile structure
1333319-50-8 structure
Product Name:5-Methylpyridazine-3-carbonitrile
CAS No:1333319-50-8
MF:C6H5N3
MW:119.124000310898
MDL:MFCD18909488
CID:1033429
PubChem ID:71303787
Update Time:2025-09-28

5-Methylpyridazine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Methylpyridazine-3-carbonitrile
    • SY322503
    • PB11387
    • DTXSID10745117
    • 1333319-50-8
    • P12502
    • CS-0050430
    • 3-Pyridazinecarbonitrile, 5-methyl-
    • AS-51367
    • MFCD18909488
    • Z1222424799
    • AKOS016845291
    • EN300-1699671
    • MDL: MFCD18909488
    • Inchi: 1S/C6H5N3/c1-5-2-6(3-7)9-8-4-5/h2,4H,1H3
    • InChI Key: HSIMDIPRYJNWOG-UHFFFAOYSA-N
    • SMILES: N1C=C(C)C=C(C#N)N=1

Computed Properties

  • Exact Mass: 119.048347172g/mol
  • Monoisotopic Mass: 119.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 135
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 49.6?2

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Additional information on 5-Methylpyridazine-3-carbonitrile

Introduction to 5-Methylpyridazine-3-carbonitrile (CAS No. 1333319-50-8)

5-Methylpyridazine-3-carbonitrile, identified by its Chemical Abstracts Service (CAS) number 1333319-50-8, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the pyridazine family, characterized by a six-membered ring containing two nitrogen atoms. The presence of a methyl group at the 5-position and a nitrile group at the 3-position imparts unique chemical properties that make it a valuable intermediate in synthetic chemistry.

The structural features of 5-Methylpyridazine-3-carbonitrile contribute to its versatility as a building block in drug discovery. The pyridazine core is a common motif in biologically active molecules, often found in pharmaceuticals targeting various diseases. The nitrile functionality, in particular, is known for its ability to participate in nucleophilic addition reactions, enabling the construction of more complex molecular architectures. This makes the compound particularly useful in multi-step synthetic routes toward target molecules.

In recent years, there has been growing interest in exploring the pharmacological potential of pyridazine derivatives. 5-Methylpyridazine-3-carbonitrile has been investigated for its potential applications in developing novel therapeutic agents. Preliminary studies suggest that this compound may exhibit bioactivity relevant to neurological disorders, inflammation, and metabolic diseases. The methyl and nitrile substituents are strategically positioned to interact with biological targets, making it an attractive scaffold for medicinal chemists.

One of the most compelling aspects of 5-Methylpyridazine-3-carbonitrile is its role as a precursor in the synthesis of more complex heterocycles. Researchers have leveraged this compound to develop novel analogs with enhanced pharmacokinetic properties. For instance, modifications at the 5- and 3-positions have been explored to optimize solubility, metabolic stability, and target engagement. These efforts align with the broader trend in drug discovery toward rational design and structure-activity relationship (SAR) studies.

The synthesis of 5-Methylpyridazine-3-carbonitrile typically involves multi-step organic transformations starting from readily available precursors. Common synthetic strategies include condensation reactions followed by functional group interconversions to introduce the nitrile and methyl groups at appropriate positions. Advances in catalytic methods have further streamlined these processes, improving yields and reducing environmental impact. Such innovations are crucial for sustainable pharmaceutical manufacturing.

Recent advancements in computational chemistry have also played a pivotal role in understanding the reactivity and potential applications of 5-Methylpyridazine-3-carbonitrile. Molecular modeling studies have provided insights into how this compound interacts with biological targets at the molecular level. These insights are invaluable for guiding experimental design and optimizing lead compounds for clinical development.

The agrochemical sector has not been left behind in exploring the potential of 5-Methylpyridazine-3-carbonitrile. Derivatives of this compound have shown promise as intermediates in the synthesis of novel pesticides and herbicides. The structural flexibility of pyridazine derivatives allows for tailored biological activity against specific pests while minimizing environmental impact. This aligns with global efforts to develop greener agrochemical solutions.

In conclusion, 5-Methylpyridazine-3-carbonitrile (CAS No. 1333319-50-8) represents a significant compound in modern chemical research with applications spanning pharmaceuticals and agrochemicals. Its unique structural features and reactivity make it a valuable intermediate for developing novel bioactive molecules. As research continues to uncover new synthetic methodologies and pharmacological applications, this compound is poised to remain a cornerstone in medicinal chemistry innovation.

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