2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

C20H20N2O — CID 7662489

IUPAC2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C20H20N2O/c1-14-5-8-17(9-6-14)19-10-11-20(23)22(21-19)13-18-12-15(2)4-7-16(18)3/h4-12H,13H2,1-3H3
InChIKeyKWJZVASJBYPEHU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.88
Rot. Bonds3

About 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 7662489) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID7662489
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C20H20N2O/c1-14-5-8-17(9-6-14)19-10-11-20(23)22(21-19)13-18-12-15(2)4-7-16(18)3/h4-12H,13H2,1-3H3
InChIKeyKWJZVASJBYPEHU-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
Talastine
CID 65624
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CID 619552
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 2800008
4-[(4-methylphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937631
4-[(3-methylphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937731
2-Methyl-4-[4-methyl-3-(piperidin-1-ylmethyl)phenyl]phthalazin-1-one
CID 752670
3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
CID 752678
2-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 1472489
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (CID 7662489) is 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is KWJZVASJBYPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-5-8-17(9-6-14)19-10-11-20(23)22(21-19)13-18-12-15(2)4-7-16(18)3/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[(2,5-dimethylphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 3.88, 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-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 7662489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).