3-piperazin-1-yl-5-(trifluoromethyl)pyridazine

C9H11F3N4 — CID 69039149

IUPAC3-piperazin-1-yl-5-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cnnc(N2CCNCC2)c1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-14-6-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyAAXQQAMUQLFQPX-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.90
Rot. Bonds1

About 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine

3-piperazin-1-yl-5-(trifluoromethyl)pyridazine (PubChem CID 69039149) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-piperazin-1-yl-5-(trifluoromethyl)pyridazine
PubChem CID69039149
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name3-piperazin-1-yl-5-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cnnc(N2CCNCC2)c1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-14-6-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyAAXQQAMUQLFQPX-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine (CID 69039149) is 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine is FC(F)(F)c1cnnc(N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine?
The InChIKey is AAXQQAMUQLFQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-14-6-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2.
What are the key properties of 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine?
3-piperazin-1-yl-5-(trifluoromethyl)pyridazine has a molecular weight of 232.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 69039149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).