3(2H)-Pyridazinone - ≥98% , CAS No.504-30-3

CAS: 504-30-3 Cat. No.: P119352 Molecular Weight: 96.09 Beilstein Registry Number: 106974 EC Number: 628-659-5

GRADE & PURITY ≥98%

Synonyms

AC-907/30002019 | NSC21411 | NSC-21411 | PB32258 | Z803153778 | 3-Pyridazinone | EN300-53981 | 3(2H)-Pyridazinone, >=97.0% (GC) | AKOS000320163 | AKOS005207020 | STR06961 | ZB1478 | F1967-0134 | 3-oxidopyridazinium | SY020182 | 3-Pyridazinol | AM20100231

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-907/30002019 | NSC21411 | NSC-21411 | PB32258 | Z803153778 | 3-Pyridazinone | EN300-53981 | 3(2H)-Pyridazinone, >=97.0% (GC) | AKOS000320163 | AKOS005207020 | STR06961 | ZB1478 | F1967-0134 | 3-oxidopyridazinium | SY020182 | 3-Pyridazinol | AM20100231

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184093
• Canonical Smiles: C1=CC(=O)NN=C1
• IUPAC Name: 1H-pyridazin-6-one
• InChIKey: AAILEWXSEQLMNI-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
• Isomeric SMILES: C1=CC(=O)NN=C1
• WGK Germany: 3
• Molecular Weight: 96.09
• Beilstein: 106974
• Reaxy-Rn: 106974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106974&ln=

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: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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

Data sources

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 101 °C/1.5 mmHg
• Melt Point(°C): 98-104°C
• Molecular Weight: 96.090 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.0324 Da
• Monoisotopic Mass: 96.0324 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 137.000
• 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