2-chloro-N'-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N'-methylpyridine-3-carbohydrazide|N'3-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N'3-methyl-2-chloropyridine-3-carbohydrazid...

General Information

Structure

Molecular Formula

C₁₂H₁₁Cl₂N₅O₂

Molecular Mass

328.15404

Exact Mass

327.02897998

Charge

InChI

InChI=1S/C12H11Cl2N5O2/c1-18(8-6-16-19(2)12(21)9(8)13)17-11(20)7-4-3-5-15-10(7)14/h3-6H,1-2H3,(H,17,20)

InChIKey

WAFVXBAIMYCPEK-UHFFFAOYSA-N

Canonic Smiles

CN(c1cnn(c(=O)c1Cl)C)NC(=O)c1cccnc1Cl

Isomeric Smiles

n1cc(c(c(=O)n1C)Cl)N(NC(=O)c1cccnc1Cl)C

Calculated Properties

JChem

Acid pKa

11.860793

H Acceptors

H Donor

LogD (pH = 5.5)

0.37267214

LogD (pH = 7.4)

0.37265927

Log P

0.3726726

Molar Refractivity

81.294

Polarizability

29.416065

Polar Surface Area

77.9

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-chloro-N'-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N'-methylpyridine-3-carbohydrazide

Synonyms

N'3-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N'3-methyl-2-chloropyridine-3-carbohydrazide

IUPAC Traditional name

2-chloro-N'-(5-chloro-1-methyl-6-oxopyridazin-4-yl)-N'-methylpyridine-3-carbohydrazide

Names and Identifiers

Registration numbers

MDL Number

MFCD00117720

PubChem SID

162043871

PubChem CID

2774697

Registration numbers

Properties

No Data Available

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Related Proteins

Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:79108