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1H-Pyrazolo[3，4-d]pyridazin-4(5H)-one - ≥95%, high purity , CAS No.13521-25-0

COA

Grade & Purity:

≥95%

Cas Number: 13521-25-0
Molecular Weight: 136.114
PubChem CID: 12240775

In stock

Item Number

H726596

Grouped product items
SKU	Size	Availability	Price
H726596-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90
H726596-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$762.90
H726596-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,568.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyridazines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyridazines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridazinones
Alternative Parents	Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridazinone - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
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	1,5-dihydropyrazolo[3,4-d]pyridazin-4-one
INCHI	InChI=1S/C5H4N4O/c10-5-3-1-6-8-4(3)2-7-9-5/h1-2H,(H,6,8)(H,9,10)
InChIKey	RBWFEMOYMLQPAV-UHFFFAOYSA-N
Smiles	C1=NNC2=C1C(=O)NN=C2
Isomeric SMILES	C1=NNC2=C1C(=O)NN=C2
PubChem CID	12240775
Molecular Weight	136.114

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	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	136.039 Da
Monoisotopic Mass	136.039 Da
Topological Polar Surface Area	70.100 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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