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

C18H15FN2O — CID 2811844

IUPAC5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccc(F)cc3)c(=O)[nH]n2)cc1
InChIInChI=1S/C18H15FN2O/c1-12-2-6-14(7-3-12)17-11-15(18(22)21-20-17)10-13-4-8-16(19)9-5-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZUAPASJEXTUMDB-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.48
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one (PubChem CID 2811844) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one
PubChem CID2811844
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one
SMILESCc1ccc(-c2cc(Cc3ccc(F)cc3)c(=O)[nH]n2)cc1
InChIInChI=1S/C18H15FN2O/c1-12-2-6-14(7-3-12)17-11-15(18(22)21-20-17)10-13-4-8-16(19)9-5-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZUAPASJEXTUMDB-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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Related Compounds

4-Benzyl-1(2H)-phthalazinone
CID 616651
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
CID 3912518
N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 9557181
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
N-[(E)-1-(2-Fluorophenyl)ethylideneamino]benzamide
CID 9656843
4,6-diphenylpyridazin-3(2H)-one
CID 5060259
4-(4-Fluorophenyl)-1,2-dihydrophthalazin-1-one
CID 722258

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one (CID 2811844) is 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one is Cc1ccc(-c2cc(Cc3ccc(F)cc3)c(=O)[nH]n2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one?
The InChIKey is ZUAPASJEXTUMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-2-6-14(7-3-12)17-11-15(18(22)21-20-17)10-13-4-8-16(19)9-5-13/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one?
5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-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 5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2811844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).