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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-{[1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline

Nc1ccc(cc1)Cc1nnc2n1cccn2 Request for Quotation
Chemical Name: 4-{[1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline
CAS Number: 1156664-91-3
Product Number: AG01AF5S(AG01AF5S)
Synonyms:
MDL No:
Molecular Formula: C12H11N5
Molecular Weight: 225.2492

Identification/Properties

Computed Properties
Molecular Weight:
225.255g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
225.101g/mol
Monoisotopic Mass:
225.101g/mol
Topological Polar Surface Area:
69.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-{[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline is a versatile compound widely used in chemical synthesis, specifically in the development of novel pharmaceuticals and agrochemicals. Its unique structure allows for a diverse range of reactions and functional group manipulations, making it a valuable building block in organic chemistry.One key application of 4-{[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline is in the synthesis of heterocyclic compounds. By serving as a core component, this compound can facilitate the construction of complex molecular frameworks with enhanced biological activities. Additionally, its compatibility with various coupling reactions and transformations enables the rapid and efficient generation of structurally diverse compounds for drug discovery and crop protection purposes.Moreover, the presence of the triazolopyrimidine moiety in 4-{[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline imparts desirable properties that can be exploited in the design of potent bioactive molecules. The synthesis of novel hybrid compounds incorporating this scaffold has shown promising results in modulating key biological targets, highlighting its potential in medicinal and agricultural chemistry research.Overall, the strategic incorporation of 4-{[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylmethyl}aniline in chemical synthesis enables the rapid discovery of diverse compounds with tailored properties, making it a valuable tool for advancing innovation in the fields of drug development and crop protection.