6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one

C11H11ClN2O — CID 4144791

IUPAC6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one
SMILESCC1=C(c2ccc(Cl)cc2)NNC(=O)C1
InChIInChI=1S/C11H11ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyBDJAOCNDKYGBOY-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.10
Rot. Bonds1

About 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one

6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one (PubChem CID 4144791) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one
PubChem CID4144791
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one
SMILESCC1=C(c2ccc(Cl)cc2)NNC(=O)C1
InChIInChI=1S/C11H11ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyBDJAOCNDKYGBOY-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one (CID 4144791) is 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one is CC1=C(c2ccc(Cl)cc2)NNC(=O)C1.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one?
The InChIKey is BDJAOCNDKYGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3,(H,13,15).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one?
6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one has a molecular weight of 222.68 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-2,4-dihydro-1H-pyridazin-3-one is sourced from PubChem (CID 4144791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).