1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

C11H14F3N3O — CID 116984686

IUPAC1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(N)c1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C11H14F3N3O/c1-6(15)10-16-8(9(18)11(12,13)14)7-4-2-3-5-17(7)10/h6H,2-5,15H2,1H3
InChIKeyZJWPGMGMHHTAJX-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.98
Rot. Bonds2

About 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 116984686) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
PubChem CID116984686
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(N)c1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C11H14F3N3O/c1-6(15)10-16-8(9(18)11(12,13)14)7-4-2-3-5-17(7)10/h6H,2-5,15H2,1H3
InChIKeyZJWPGMGMHHTAJX-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (CID 116984686) is 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is CC(N)c1nc(C(=O)C(F)(F)F)c2n1CCCC2.
What is the InChIKey of 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is ZJWPGMGMHHTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(15)10-16-8(9(18)11(12,13)14)7-4-2-3-5-17(7)10/h6H,2-5,15H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 261.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 116984686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).