[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol

C11H15F3N4O — CID 55140580

IUPAC[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-17-3-5-18(6-4-17)10-2-1-9(7-19)15-16-10/h1-2,19H,3-8H2
InChIKeyUXGUUAZYEVKZAE-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.65
Rot. Bonds3

About [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol

[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol (PubChem CID 55140580) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol
PubChem CID55140580
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-17-3-5-18(6-4-17)10-2-1-9(7-19)15-16-10/h1-2,19H,3-8H2
InChIKeyUXGUUAZYEVKZAE-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol 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 [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol?
The IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol (CID 55140580) is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol is OCc1ccc(N2CCN(CC(F)(F)F)CC2)nn1.
What is the InChIKey of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol?
The InChIKey is UXGUUAZYEVKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-17-3-5-18(6-4-17)10-2-1-9(7-19)15-16-10/h1-2,19H,3-8H2.
What are the key properties of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol?
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol is sourced from PubChem (CID 55140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).