2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one

C20H19ClN2O — CID 8699180

IUPAC2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C20H19ClN2O/c1-13-10-15(3)17(11-14(13)2)19-8-9-20(24)23(22-19)12-16-6-4-5-7-18(16)21/h4-11H,12H2,1-3H3
InChIKeyYJBKIIRMGZLFJP-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.54
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one

2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one (PubChem CID 8699180) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
PubChem CID8699180
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C20H19ClN2O/c1-13-10-15(3)17(11-14(13)2)19-8-9-20(24)23(22-19)12-16-6-4-5-7-18(16)21/h4-11H,12H2,1-3H3
InChIKeyYJBKIIRMGZLFJP-UHFFFAOYSA-N
XLogP4.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one (CID 8699180) is 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one is Cc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The InChIKey is YJBKIIRMGZLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13-10-15(3)17(11-14(13)2)19-8-9-20(24)23(22-19)12-16-6-4-5-7-18(16)21/h4-11H,12H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one has a molecular weight of 338.84 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 8699180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).