3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one

C19H18N2O — CID 2811843

IUPAC3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2cc(-c3ccc(C)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C19H18N2O/c1-13-3-7-15(8-4-13)11-17-12-18(20-21-19(17)22)16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyFNBJAEFEVPYTPZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one

3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 2811843) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
PubChem CID2811843
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2cc(-c3ccc(C)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C19H18N2O/c1-13-3-7-15(8-4-13)11-17-12-18(20-21-19(17)22)16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyFNBJAEFEVPYTPZ-UHFFFAOYSA-N
XLogP3.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one (CID 2811843) is 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one is Cc1ccc(Cc2cc(-c3ccc(C)cc3)n[nH]c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is FNBJAEFEVPYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-3-7-15(8-4-13)11-17-12-18(20-21-19(17)22)16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 290.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2811843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).