1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane

C12H14F3N3 — CID 141434473

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1ccc(C23CCC(CNC2)C3)nn1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-9(17-18-10)11-4-3-8(5-11)6-16-7-11/h1-2,8,16H,3-7H2
InChIKeySIQSHFRNWTWPFW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.14
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane

1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane (PubChem CID 141434473) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane
PubChem CID141434473
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1ccc(C23CCC(CNC2)C3)nn1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-9(17-18-10)11-4-3-8(5-11)6-16-7-11/h1-2,8,16H,3-7H2
InChIKeySIQSHFRNWTWPFW-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane (CID 141434473) is 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane is FC(F)(F)c1ccc(C23CCC(CNC2)C3)nn1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane?
The InChIKey is SIQSHFRNWTWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-9(17-18-10)11-4-3-8(5-11)6-16-7-11/h1-2,8,16H,3-7H2.
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane?
1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane has a molecular weight of 257.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 141434473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).