2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one

C19H18FN3O2 — CID 56666783

IUPAC2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
SMILESCc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H18FN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3
InChIKeyNSPQWCSTQKGQGA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one

2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one (PubChem CID 56666783) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
PubChem CID56666783
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
SMILESCc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H18FN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3
InChIKeyNSPQWCSTQKGQGA-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The IUPAC name of 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one (CID 56666783) is 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The canonical SMILES for 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one is Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The InChIKey is NSPQWCSTQKGQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3.
What are the key properties of 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one has a molecular weight of 339.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one is sourced from PubChem (CID 56666783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).