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N-(1H-1，2，4-Triazol-3-yl)acetamide - ≥95%, high purity , CAS No.5295-23-8

COA

Grade & Purity:

≥95%

Cas Number: 5295-23-8
Molecular Weight: 126.12
PubChem CID: 266439

In stock

Item Number

N696979

Grouped product items
SKU	Size	Availability	Price	Qty
N696979-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,711.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass N-arylamides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	N-arylamides
Intermediate Tree Nodes	Not available
Direct Parent	N-acetylarylamines
Alternative Parents	Triazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acetylarylamine - Azole - 1,2,4-triazole - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group.
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

Names and Identifiers

IUPAC Name	N-(1H-1,2,4-triazol-5-yl)acetamide
INCHI	InChI=1S/C4H6N4O/c1-3(9)7-4-5-2-6-8-4/h2H,1H3,(H2,5,6,7,8,9)
InChIKey	REGWOMUKTJWBAW-UHFFFAOYSA-N
Smiles	CC(=O)NC1=NC=NN1
Isomeric SMILES	CC(=O)NC1=NC=NN1
Molecular Weight	126.12
Reaxy-Rn	510122
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510122&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	126.120 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	126.054 Da
Monoisotopic Mass	126.054 Da
Topological Polar Surface Area	70.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115.000
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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