1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]-|66548-69-4,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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)-

1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]-

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Chemical Name:	1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]-
CAS Number:	66548-69-4
Product Number:	AG00FCF0(AGN-PC-0JLG2K)
Synonyms:
MDL No:	MFCD00674912
Molecular Formula:	C13H9F3N4
Molecular Weight:	278.2326

Identification/Properties
Safety Information
NMR Spectrum
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Identification/Properties

Properties

MP:

193-194℃(Solv: methanol (67-56-1))

Form:

Solid

Computed Properties

Molecular Weight:

278.238g/mol

XLogP3:

2.7

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

278.078g/mol

Monoisotopic Mass:

278.078g/mol

Topological Polar Surface Area:

43.1A^2

Heavy Atom Count:

Formal Charge:

Complexity:

349

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H302-H315-H319-H335

Precautionary Statements:

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine is a versatile compound utilized in chemical synthesis due to its reactivity and unique structural properties. This compound is known to act as a valuable building block in the creation of novel drug molecules, especially in the field of medicinal chemistry. Its triazolo-pyridazine core provides a rigid and conformationally restricted structure that can enhance the potency and selectivity of bioactive compounds. Furthermore, the trifluoromethyl group attached to the phenyl ring confers enhanced lipophilicity and metabolic stability to the synthesized molecules. In organic synthesis, 3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine serves as a key intermediate in the preparation of various compounds with potential pharmaceutical applications. Its strategic placement within the molecular framework allows for efficient derivatization and modification, leading to the creation of diverse chemical entities with improved biological activities. By incorporating this compound into the synthesis of new molecules, chemists can explore innovative drug candidates and accelerate the discovery of therapeutically relevant agents.