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3-Amino-1H-indazole-4-carbonitrile - 98%, high purity , CAS No.1240518-54-0

COA

Grade & Purity:

≥98%

Cas Number: 1240518-54-0
Molecular Weight: 158.16
PubChem CID: 54016394

In stock

Item Number

A190253

Grouped product items
SKU	Size	Availability	Price	Qty
A190253-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
A190253-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$579.90

Basic Description

Synonyms	3-Amino-1H-indazole-4-carbonitrile \| 1240518-54-0 \| CHEMBL2391619 \| 1H-Indazole-4-carbonitrile, 3-amino- \| 3zly \| SCHEMBL186113 \| DTXSID20708410 \| KVXRKRURRSOVSJ-UHFFFAOYSA-N \| BDBM50491984 \| MFCD20486223 \| AKOS016001933 \| FS-3626 \| CS-0043919 \| FT-0754817 \| Q27467818 \| YSO
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carbonitrile - Nitrile - Azacycle - Amine - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-amino-1H-indazole-4-carbonitrile
INCHI	InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
InChIKey	KVXRKRURRSOVSJ-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1)NN=C2N)C#N
Isomeric SMILES	C1=CC(=C2C(=C1)NN=C2N)C#N
Molecular Weight	158.16
Reaxy-Rn	20553204
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20553204&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	158.160 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	158.059 Da
Monoisotopic Mass	158.059 Da
Topological Polar Surface Area	78.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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