3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one

C8H5FN2OS — CID 149160515

IUPAC3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(F)cs2)n[nH]1
InChIInChI=1S/C8H5FN2OS/c9-5-3-7(13-4-5)6-1-2-8(12)11-10-6/h1-4H,(H,11,12)
InChIKeyVABHTYTVSYKCFW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.64
Rot. Bonds1

About 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one

3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one (PubChem CID 149160515) has the molecular formula C8H5FN2OS and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one
PubChem CID149160515
Molecular FormulaC8H5FN2OS
Molecular Weight196.21 g/mol
Exact Mass196.01
IUPAC Name3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cc(F)cs2)n[nH]1
InChIInChI=1S/C8H5FN2OS/c9-5-3-7(13-4-5)6-1-2-8(12)11-10-6/h1-4H,(H,11,12)
InChIKeyVABHTYTVSYKCFW-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-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 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one (CID 149160515) is 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one is O=c1ccc(-c2cc(F)cs2)n[nH]1.
What is the InChIKey of 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one?
The InChIKey is VABHTYTVSYKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2OS/c9-5-3-7(13-4-5)6-1-2-8(12)11-10-6/h1-4H,(H,11,12).
What are the key properties of 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one?
3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one has a molecular weight of 196.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorothiophen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 149160515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).