N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine

C10H14F3N3O — CID 55058427

IUPACN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)14-5-8-3-4-9(16-15-8)17-6-10(11,12)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQZYBFPDAZGUQMD-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.92
Rot. Bonds5

About N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 55058427) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID55058427
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)14-5-8-3-4-9(16-15-8)17-6-10(11,12)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyQZYBFPDAZGUQMD-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine (CID 55058427) is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is QZYBFPDAZGUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)14-5-8-3-4-9(16-15-8)17-6-10(11,12)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 249.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55058427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).