2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one

C19H18N2O — CID 7659668

IUPAC2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one
SMILESCc1ccc(C)c(Cn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C19H18N2O/c1-14-8-9-15(2)17(12-14)13-21-19(22)11-10-18(20-21)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyLEFHWCCQIDGLFO-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.58
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one

2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one (PubChem CID 7659668) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one
PubChem CID7659668
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one
SMILESCc1ccc(C)c(Cn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C19H18N2O/c1-14-8-9-15(2)17(12-14)13-21-19(22)11-10-18(20-21)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyLEFHWCCQIDGLFO-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one (CID 7659668) is 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one is Cc1ccc(C)c(Cn2nc(-c3ccccc3)ccc2=O)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one?
The InChIKey is LEFHWCCQIDGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-8-9-15(2)17(12-14)13-21-19(22)11-10-18(20-21)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one?
2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 7659668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).