2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one

C17H12Cl2N2O — CID 8698921

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyRFWBWUCJAGTXHK-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.27
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 8698921) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID8698921
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyRFWBWUCJAGTXHK-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one (CID 8698921) is 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one is O=c1ccc(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is RFWBWUCJAGTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-7-6-12(10-15(14)19)11-21-17(22)9-8-16(20-21)13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one?
2-[(3,4-dichlorophenyl)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 2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 8698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).