4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine

C18H16FN3OS — CID 133363613

IUPAC4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine
SMILESFc1ccc(-c2ccc(N3CCOC(c4cccs4)C3)nn2)cc1
InChIInChI=1S/C18H16FN3OS/c19-14-5-3-13(4-6-14)15-7-8-18(21-20-15)22-9-10-23-16(12-22)17-2-1-11-24-17/h1-8,11,16H,9-10,12H2
InChIKeyAHRQGNIOFROIQO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.92
Rot. Bonds3

About 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine

4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133363613) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine
PubChem CID133363613
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine
SMILESFc1ccc(-c2ccc(N3CCOC(c4cccs4)C3)nn2)cc1
InChIInChI=1S/C18H16FN3OS/c19-14-5-3-13(4-6-14)15-7-8-18(21-20-15)22-9-10-23-16(12-22)17-2-1-11-24-17/h1-8,11,16H,9-10,12H2
InChIKeyAHRQGNIOFROIQO-UHFFFAOYSA-N
XLogP3.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine (CID 133363613) is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine is Fc1ccc(-c2ccc(N3CCOC(c4cccs4)C3)nn2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine?
The InChIKey is AHRQGNIOFROIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-14-5-3-13(4-6-14)15-7-8-18(21-20-15)22-9-10-23-16(12-22)17-2-1-11-24-17/h1-8,11,16H,9-10,12H2.
What are the key properties of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine?
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 341.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).