Cas no 946263-46-3 (1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine)

1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine structure
946263-46-3 structure
Product Name:1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine
CAS No:946263-46-3
MF:C22H21N7O
MW:399.448443174362
CID:5506455
PubChem ID:26844735
Update Time:2025-10-24

1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine Chemical and Physical Properties

Names and Identifiers

    • 946263-46-3
    • 1-(4-methylbenzoyl)-4-{3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}piperazine
    • F2865-0028
    • AKOS005010032
    • (4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)(p-tolyl)methanone
    • HMS3524P06
    • 7-[4-(4-methylbenzoyl)piperazin-1-yl]-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
    • 1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine
    • Inchi: 1S/C22H21N7O/c1-16-7-9-17(10-8-16)22(30)28-13-11-27(12-14-28)20-19-21(24-15-23-20)29(26-25-19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
    • InChI Key: JARAFWKUGXLLNO-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C)=CC=1)N1CCN(C2C3=C(N=CN=2)N(C2C=CC=CC=2)N=N3)CC1

Computed Properties

  • Exact Mass: 399.18075832g/mol
  • Monoisotopic Mass: 399.18075832g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 582
  • 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: 3.1
  • Topological Polar Surface Area: 80?2

1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine Pricemore >>

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Additional information on 1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine

1-(4-Methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine: A Comprehensive Overview

The compound with CAS No. 946263-46-3, known as 1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine, is a highly specialized organic molecule with significant potential in various fields of research and application. This compound is characterized by its complex structure, which includes a piperazine ring system and a triazolo-pyrimidine moiety. The 4-methylbenzoyl group further enhances its chemical properties, making it a versatile compound for diverse applications.

Recent studies have highlighted the importance of this compound in the field of medicinal chemistry. Its unique structure allows for strong interactions with biological targets, making it a promising candidate for drug development. The triazolo-pyrimidine core is particularly notable for its ability to bind to specific protein targets, which is crucial in the design of therapeutic agents. Additionally, the piperazine ring contributes to the molecule's flexibility and stability, further enhancing its potential as a drug candidate.

In terms of synthesis, this compound is typically derived from a multi-step process involving advanced organic synthesis techniques. The incorporation of the phenyl group into the triazolo-pyrimidine moiety is achieved through carefully controlled reactions that ensure high yields and purity. The methylbenzoyl group is introduced in a subsequent step, completing the construction of the final molecule.

The compound has also been explored in the context of materials science. Its ability to form stable complexes with metal ions makes it a valuable component in the development of new materials for catalysis and sensing applications. Recent research has demonstrated its potential as a ligand in metalloporphyrin complexes, which are widely used in industrial catalysis and environmental remediation.

From an analytical perspective, this compound has been extensively studied using modern spectroscopic techniques such as NMR and mass spectrometry. These studies have provided detailed insights into its molecular structure and conformational properties. The methylbenzoyl group has been shown to influence the electronic properties of the molecule significantly, which is critical for understanding its reactivity and behavior in different chemical environments.

In conclusion, 1-(4-methylbenzoyl)-4-{3-phenyl-3H-1,2,3triazolo4,5-dpyrimidin-7-yl}piperazine (CAS No. 946263-46-3) stands out as a remarkable example of modern organic chemistry's capabilities. Its unique structure and versatile properties make it an invaluable tool in both academic research and industrial applications.

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