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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)-

3-amino-1H-indazole-5-carbonitrile

Nc1n[nH]c2c1cc(cc2)C#N Request for Quotation
Chemical Name: 3-amino-1H-indazole-5-carbonitrile
CAS Number: 20925-62-6
Product Number: AG002K51(AGN-PC-0NJC3T)
Synonyms:
MDL No: MFCD11846330
Molecular Formula: C8H6N4
Molecular Weight: 158.1600

Identification/Properties

Properties
MP:
226℃ (Decomposition)
Storage:
2-8℃;Light sensitive;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
158.164g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
158.059g/mol
Monoisotopic Mass:
158.059g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Amino-1H-indazole-5-carbonitrile is a versatile compound widely utilized in chemical synthesis for its unique properties and applications. First and foremost, this compound serves as a key building block in the synthesis of pharmaceuticals and bioactive molecules. Its amino and carbonitrile functional groups allow for facile derivatization, enabling the introduction of diverse chemical moieties for structure-activity relationship studies.Additionally, 3-Amino-1H-indazole-5-carbonitrile plays a crucial role in the development of novel materials and organic compounds. Its structural features make it a valuable intermediate in the preparation of functionalized indazole derivatives, which have found applications in materials science, agrochemicals, and organic electronics.Moreover, this compound is employed in the preparation of ligands for coordination chemistry and catalysis. Its ability to coordinate with various metal ions makes it a valuable tool in the design of catalysts for organic transformations and asymmetric synthesis reactions, leading to efficient and selective processes.In conclusion, the diverse applications of 3-Amino-1H-indazole-5-carbonitrile in chemical synthesis highlight its significance as a versatile building block with broad utility in the development of pharmaceuticals, materials, and catalysts.