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

C17H13FN2O — CID 2810104

IUPAC5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccc1
InChIInChI=1S/C17H13FN2O/c18-15-8-6-13(7-9-15)16-11-14(17(21)20-19-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyQJULXBUMYAZDHG-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.17
Rot. Bonds3

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

5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one (PubChem CID 2810104) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
PubChem CID2810104
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccc1
InChIInChI=1S/C17H13FN2O/c18-15-8-6-13(7-9-15)16-11-14(17(21)20-19-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyQJULXBUMYAZDHG-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.17
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-fluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one (CID 2810104) is 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
The InChIKey is QJULXBUMYAZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-15-8-6-13(7-9-15)16-11-14(17(21)20-19-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21).
What are the key properties of 5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one?
5-benzyl-3-(4-fluorophenyl)-1H-pyridazin-6-one has a molecular weight of 280.30 g/mol, XLogP of 3.17, 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-fluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2810104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).