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1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one - >98.0%(HPLC), high purity , CAS No.6969-71-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 6969-71-7
Molecular Weight: 135.13
Beilstein Registry Number: 26(5)4,190
MDL number: MFCD00022632
PubChem CID: 81431
PubChem SID: 504755529

In stock

Item Number

T161636

Grouped product items
SKU	Size	Availability	Price
T161636-5g	5g	3	$13.90
T161636-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
T161636-25g	25g	2	$39.90
T161636-100g	100g	1	$143.90
T161636-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90

View related series

Halogen free heterocyclic block (1207) Triazoles (108)

Basic Description

Synonyms	2H-[1,2,4]triazolo[4,3-a]pyridin-3-one \| F3095-0220 \| NSC68462 \| NSC-68462 \| GF-0127 \| F2113-0215 \| BCP03573 \| DTXSID70219980 \| EINECS 230-191-8 \| 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one \| HMS1755A19 \| SMR004703276 \| 2H-[1,2,4]triazolo[4,5-a]pyridin-3-one
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Triazolones
        Level6 Aryl 1,2,4-triazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Triazolones
Direct Parent	Aryl 1,2,4-triazolones
Alternative Parents	Triazolopyridines Pyridinones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl 1,2,4-triazol-3-one - Triazolopyridine - Pyridinone - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with 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

Pubchem Sid	504755529
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755529
IUPAC Name	2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
INCHI	InChI=1S/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
InChIKey	LJRXNXBFJXXRNQ-UHFFFAOYSA-N
Smiles	C1=CC2=NNC(=O)N2C=C1
Isomeric SMILES	C1=CC2=NNC(=O)N2C=C1
WGK Germany	3
PubChem CID	81431
Molecular Weight	135.13
Beilstein	26(5)4,190
Reaxy-Rn	607433

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
J2009311	Certificate of Analysis	Aug 15, 2024	T161636
C1830058	Certificate of Analysis	Feb 15, 2022	T161636

Chemical and Physical Properties

Melt Point(°C)	231 °C
Molecular Weight	135.120 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	135.043 Da
Monoisotopic Mass	135.043 Da
Topological Polar Surface Area	44.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	264.000
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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