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

C9H12F3N3O — CID 62291367

IUPACN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-2-13-5-7-3-4-8(15-14-7)16-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3
InChIKeyJITJPXFEJLETPJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.53
Rot. Bonds5

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

N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 62291367) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID62291367
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-2-13-5-7-3-4-8(15-14-7)16-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3
InChIKeyJITJPXFEJLETPJ-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.53
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]ethanamine?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine (CID 62291367) is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is JITJPXFEJLETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-13-5-7-3-4-8(15-14-7)16-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3.
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.53, 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]ethanamine is sourced from PubChem (CID 62291367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).