5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one

C17H12Cl2N2O — CID 1472475

IUPAC5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1cc(Cl)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-8-6-12(7-9-14)11-21-16(22)10-15(19)17(20-21)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyVFPSLGWJCWGLOD-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.27
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one

5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 1472475) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID1472475
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1cc(Cl)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-14-8-6-12(7-9-14)11-21-16(22)10-15(19)17(20-21)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyVFPSLGWJCWGLOD-UHFFFAOYSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
CID 3125367
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
2-(2-chloro-6-fluorobenzyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
CID 6624406
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
2-(2-chloro-6-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662570
2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
6-phenyl-2-(4-vinylbenzyl)pyridazin-3(2H)-one
CID 23608995
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
1-(3,4-Dichlorobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CID 3831396
2-benzyl-6-phenylpyridazin-3(2H)-one
CID 6459134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one (CID 1472475) is 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one is O=c1cc(Cl)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is VFPSLGWJCWGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-8-6-12(7-9-14)11-21-16(22)10-15(19)17(20-21)13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one?
5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 331.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 1472475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).