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

C16H12Cl2N2O — CID 3742146

IUPAC5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-4-10(5-7-12)15-9-14(16(21)20-19-15)11-2-1-3-13(18)8-11/h1-8,14H,9H2,(H,20,21)
InChIKeyJEDYBQDMWCAHPI-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.00
Rot. Bonds2

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

5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3742146) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3742146
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-4-10(5-7-12)15-9-14(16(21)20-19-15)11-2-1-3-13(18)8-11/h1-8,14H,9H2,(H,20,21)
InChIKeyJEDYBQDMWCAHPI-UHFFFAOYSA-N
XLogP4.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorobenzyl)phthalazin-1(2H)-one
CID 104452
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
(4-Chloro-phenyl)-acetic acid [1-(4-fluoro-phenyl)-ethylidene]-hydrazide
CID 5439289
N'-[(1E)-1-(4-chlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237608
N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237609
4-(4-chlorophenyl)-6-(3-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3543116
4-(2,4-dichlorophenyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 3692388
4,6-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 3702992
6-(4-chlorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3813527
6-(4-chlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 5182021
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
trans-(1R,2R)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7329455

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 3742146) is 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccc(Cl)cc2)CC1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JEDYBQDMWCAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-6-4-10(5-7-12)15-9-14(16(21)20-19-15)11-2-1-3-13(18)8-11/h1-8,14H,9H2,(H,20,21).
What are the key properties of 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 319.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3742146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).