4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one

C12H11ClN2O — CID 126527319

IUPAC4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(C)c(Cl)c2=O)c1
InChIInChI=1S/C12H11ClN2O/c1-8-4-3-5-10(6-8)15-12(16)11(13)9(2)7-14-15/h3-7H,1-2H3
InChIKeyHDIXTLSBXTZVOL-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.50
Rot. Bonds1

About 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one

4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 126527319) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
PubChem CID126527319
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
SMILESCc1cccc(-n2ncc(C)c(Cl)c2=O)c1
InChIInChI=1S/C12H11ClN2O/c1-8-4-3-5-10(6-8)15-12(16)11(13)9(2)7-14-15/h3-7H,1-2H3
InChIKeyHDIXTLSBXTZVOL-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one (CID 126527319) is 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one is Cc1cccc(-n2ncc(C)c(Cl)c2=O)c1.
What is the InChIKey of 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is HDIXTLSBXTZVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-4-3-5-10(6-8)15-12(16)11(13)9(2)7-14-15/h3-7H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one?
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 234.69 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 126527319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).