1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine

C11H14F3N3O — CID 163382774

IUPAC1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCC2CC2)nn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-18-10-4-3-9(16-17-10)6-15-5-8-1-2-8/h3-4,8,15H,1-2,5-7H2
InChIKeyNJSKDABQVAZJOT-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.92
Rot. Bonds6

About 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine

1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine (PubChem CID 163382774) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine
PubChem CID163382774
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCC2CC2)nn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-18-10-4-3-9(16-17-10)6-15-5-8-1-2-8/h3-4,8,15H,1-2,5-7H2
InChIKeyNJSKDABQVAZJOT-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine (CID 163382774) is 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine is FC(F)(F)COc1ccc(CNCC2CC2)nn1.
What is the InChIKey of 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine?
The InChIKey is NJSKDABQVAZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)7-18-10-4-3-9(16-17-10)6-15-5-8-1-2-8/h3-4,8,15H,1-2,5-7H2.
What are the key properties of 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine?
1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine has a molecular weight of 261.25 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine is sourced from PubChem (CID 163382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).