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

C11H11ClN2O — CID 2830185

IUPAC3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyVECYAKYVLADWSP-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.20
Rot. Bonds1

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

3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 2830185) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID2830185
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyVECYAKYVLADWSP-UHFFFAOYSA-N
XLogP2.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 2830185) is 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VECYAKYVLADWSP-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/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 222.68 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 2830185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).