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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)-

5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide

Clc1ccc(cc1)C(=O)c1c(Cl)cc(cc1Cl)Cn1nnc(c1N)C(=O)N Request for Quotation
Chemical Name: 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
CAS Number: 99519-84-3
Product Number: AG006NPU(AGN-PC-0JLG52)
Synonyms:
MDL No: MFCD00866325
Molecular Formula: C17H12Cl3N5O2
Molecular Weight: 424.6685

Identification/Properties

Properties
MP:
202 - 205°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
424.666g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
423.006g/mol
Monoisotopic Mass:
423.006g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
549
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

GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide is a versatile compound widely utilized in chemical synthesis for its ability to serve as a key building block in the creation of biologically active molecules. This compound plays a crucial role in the development of pharmaceuticals, agrochemicals, and materials science due to its unique structural properties and reactivity.In chemical synthesis, 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide is commonly employed as a substrate for various reactions such as amide bond formation, nucleophilic substitutions, and cyclization processes. Its triazole ring offers a site for further functionalization, enabling the introduction of diverse chemical groups to tailor the molecule's properties for specific applications.Moreover, the presence of both an amide group and an aromatic benzoyl moiety in the structure of this compound enhances its potential for participating in complex synthetic pathways, leading to the synthesis of structurally intricate compounds with desirable biological activities. Its combination of amine, amide, and triazole functionalities makes it a valuable intermediate in the synthesis of diverse drug candidates and bioactive molecules.Overall, the application of 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide in chemical synthesis enables the efficient construction of complex molecular architectures with high potential for pharmaceutical and agrochemical development.