2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

C20H19FN2O2 — CID 59400725

IUPAC2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21/h4-11,24H,3,12H2,1-2H3
InChIKeyTUSYDZDHGQKSQP-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400725) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400725
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21/h4-11,24H,3,12H2,1-2H3
InChIKeyTUSYDZDHGQKSQP-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (CID 59400725) is 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is CCn1nc(Cc2ccccc2F)c(O)c(-c2ccccc2C)c1=O.
What is the InChIKey of 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is TUSYDZDHGQKSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-23-20(25)18(15-10-6-4-8-13(15)2)19(24)17(22-23)12-14-9-5-7-11-16(14)21/h4-11,24H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 338.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).