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

C18H15FN2O — CID 2811823

IUPAC3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyCPJXPVRFHXLPJV-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.48
Rot. Bonds3

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

3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 2811823) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
PubChem CID2811823
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
SMILESCc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1
InChIInChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyCPJXPVRFHXLPJV-UHFFFAOYSA-N
XLogP3.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one (CID 2811823) is 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one is Cc1ccc(Cc2cc(-c3ccc(F)cc3)n[nH]c2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is CPJXPVRFHXLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one?
3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 294.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2811823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).