5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

C16H12Cl2N2O — CID 3692388

IUPAC5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-7-12(14(18)8-11)13-9-15(19-20-16(13)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,20,21)
InChIKeyLDIYOSADHQQGOG-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.00
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one

5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3692388) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3692388
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-11-6-7-12(14(18)8-11)13-9-15(19-20-16(13)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,20,21)
InChIKeyLDIYOSADHQQGOG-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

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CID 3702992
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CID 3813527
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CID 5182021
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CID 7329455
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CID 9556728
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CID 9595175
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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (CID 3692388) is 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccccc2)CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LDIYOSADHQQGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-11-6-7-12(14(18)8-11)13-9-15(19-20-16(13)21)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,20,21).
What are the key properties of 5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
5-(2,4-dichlorophenyl)-3-phenyl-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-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3692388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).