2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one

C18H16N2O2 — CID 56927385

IUPAC2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-22-16-9-7-15(8-10-16)17-11-12-19-20(18(17)21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyMWWCBDYJCJAHCG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.97
Rot. Bonds4

About 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one

2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 56927385) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
PubChem CID56927385
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccnn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C18H16N2O2/c1-22-16-9-7-15(8-10-16)17-11-12-19-20(18(17)21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyMWWCBDYJCJAHCG-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one (CID 56927385) is 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccnn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is MWWCBDYJCJAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-16-9-7-15(8-10-16)17-11-12-19-20(18(17)21)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one?
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 56927385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).