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

C13H13FN2O — CID 141196289

IUPAC5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESCCc1cc(Cc2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C13H13FN2O/c1-2-10-8-12(15-16-13(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyPZKIGVPXAVYXMU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.06
Rot. Bonds3

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

5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one (PubChem CID 141196289) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
PubChem CID141196289
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESCCc1cc(Cc2ccc(F)cc2)n[nH]c1=O
InChIInChI=1S/C13H13FN2O/c1-2-10-8-12(15-16-13(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyPZKIGVPXAVYXMU-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one (CID 141196289) is 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one is CCc1cc(Cc2ccc(F)cc2)n[nH]c1=O.
What is the InChIKey of 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is PZKIGVPXAVYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-10-8-12(15-16-13(10)17)7-9-3-5-11(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 232.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 141196289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).