2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone

C11H14F3N3O — CID 116984685

IUPAC2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCNCc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C11H14F3N3O/c1-15-6-8-16-9(10(18)11(12,13)14)7-4-2-3-5-17(7)8/h15H,2-6H2,1H3
InChIKeyACGODMPKHBUYLF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.68
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 116984685) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID116984685
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCNCc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C11H14F3N3O/c1-15-6-8-16-9(10(18)11(12,13)14)7-4-2-3-5-17(7)8/h15H,2-6H2,1H3
InChIKeyACGODMPKHBUYLF-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (CID 116984685) is 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is CNCc1nc(C(=O)C(F)(F)F)c2n1CCCC2.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is ACGODMPKHBUYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-15-6-8-16-9(10(18)11(12,13)14)7-4-2-3-5-17(7)8/h15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 261.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 116984685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).