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

C11H16F3N3O — CID 62291543

IUPAC2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)15-6-8-4-5-9(17-16-8)18-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3
InChIKeyCLWOLQPMCUQFIT-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.31
Rot. Bonds4

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

2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62291543) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62291543
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)15-6-8-4-5-9(17-16-8)18-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3
InChIKeyCLWOLQPMCUQFIT-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine (CID 62291543) is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is CLWOLQPMCUQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)15-6-8-4-5-9(17-16-8)18-7-11(12,13)14/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62291543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).