4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine

C15H15F3N4 — CID 24880031

IUPAC4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(N2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)14-12(11-4-2-1-3-5-11)10-13(20-21-14)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2
InChIKeyYWJLFMLMZBIPMS-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.57
Rot. Bonds2

About 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine

4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine (PubChem CID 24880031) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
PubChem CID24880031
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(N2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)14-12(11-4-2-1-3-5-11)10-13(20-21-14)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2
InChIKeyYWJLFMLMZBIPMS-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine 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 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine?
The IUPAC name of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine (CID 24880031) is 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine is FC(F)(F)c1nnc(N2CCNCC2)cc1-c1ccccc1.
What is the InChIKey of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine?
The InChIKey is YWJLFMLMZBIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)14-12(11-4-2-1-3-5-11)10-13(20-21-14)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2.
What are the key properties of 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine?
4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine has a molecular weight of 308.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 24880031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).