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

C11H10Cl2N2O — CID 123761030

IUPAC3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyUVBGHYDBVXZIJJ-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.85
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 123761030) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID123761030
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyUVBGHYDBVXZIJJ-UHFFFAOYSA-N
XLogP2.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 123761030) is 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UVBGHYDBVXZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-6-4-10(16)14-15-11(6)7-2-3-8(12)9(13)5-7/h2-3,5-6H,4H2,1H3,(H,14,16).
What are the key properties of 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 257.12 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 123761030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).