2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one

C10H15FN4O — CID 126843873

IUPAC2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one
SMILESO=c1ccc(N2CCNCC2)nn1CCF
InChIInChI=1S/C10H15FN4O/c11-3-6-15-10(16)2-1-9(13-15)14-7-4-12-5-8-14/h1-2,12H,3-8H2
InChIKeyCPCKMDFWQGMGSZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one

2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one (PubChem CID 126843873) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one
PubChem CID126843873
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one
SMILESO=c1ccc(N2CCNCC2)nn1CCF
InChIInChI=1S/C10H15FN4O/c11-3-6-15-10(16)2-1-9(13-15)14-7-4-12-5-8-14/h1-2,12H,3-8H2
InChIKeyCPCKMDFWQGMGSZ-UHFFFAOYSA-N
XLogP-0.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-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-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one (CID 126843873) is 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one is O=c1ccc(N2CCNCC2)nn1CCF.
What is the InChIKey of 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one?
The InChIKey is CPCKMDFWQGMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-3-6-15-10(16)2-1-9(13-15)14-7-4-12-5-8-14/h1-2,12H,3-8H2.
What are the key properties of 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one?
2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one has a molecular weight of 226.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-6-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 126843873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).