5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one

C18H16N2O — CID 2811846

IUPAC5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccccc3)c(=O)[nH]n2)cc1
InChIInChI=1S/C18H16N2O/c1-13-7-9-15(10-8-13)17-12-16(18(21)20-19-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyMNKMJKIMSHZRIB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.34
Rot. Bonds3

About 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one

5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 2811846) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one
PubChem CID2811846
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccccc3)c(=O)[nH]n2)cc1
InChIInChI=1S/C18H16N2O/c1-13-7-9-15(10-8-13)17-12-16(18(21)20-19-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyMNKMJKIMSHZRIB-UHFFFAOYSA-N
XLogP3.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one (CID 2811846) is 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one is Cc1ccc(-c2cc(Cc3ccccc3)c(=O)[nH]n2)cc1.
What is the InChIKey of 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is MNKMJKIMSHZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-7-9-15(10-8-13)17-12-16(18(21)20-19-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one?
5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one has a molecular weight of 276.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2811846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).