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1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one - 97%, high purity , CAS No.54346-27-9

COA

Grade & Purity:

≥97%

Cas Number: 54346-27-9
Molecular Weight: 136.114
PubChem CID: 135399047

In stock

Item Number

H176740

Grouped product items
SKU	Size	Availability	Price
H176740-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
H176740-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
H176740-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
H176740-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
H176740-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$533.90

Basic Description

Synonyms	Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one \| 54346-27-9 \| 1H,4H-Pyrazolo[1,5-a][1,3,5]triazin-4-one \| 3h-pyrazolo[1,5-a][1,3,5]triazin-4-one \| Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one \| Pyrazolo[1,5-a][1,3,5]triazin-4-ol \| 6H-pyrazolo[1,5-a][1,3,5]triazin-4-one \| NSC168461
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolotriazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolotriazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolotriazines
Alternative Parents	Pyrazolo[1,5-a][1,3,5]triazines 1,3,5-triazines Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers.
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	3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
INCHI	InChI=1S/C5H4N4O/c10-5-7-3-6-4-1-2-8-9(4)5/h1-3H,(H,6,7,10)
InChIKey	NYNNJBKGLLSTAZ-UHFFFAOYSA-N
Smiles	C1=C2N=CNC(=O)N2N=C1
Isomeric SMILES	C1=C2N=CNC(=O)N2N=C1
Molecular Weight	136.114
Reaxy-Rn	1210817
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210817&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	136.110 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	136.039 Da
Monoisotopic Mass	136.039 Da
Topological Polar Surface Area	59.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	190.000
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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