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

C10H12F3N3O — CID 116984695

IUPAC2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCNc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C10H12F3N3O/c1-14-9-15-7(8(17)10(11,12)13)6-4-2-3-5-16(6)9/h2-5H2,1H3,(H,14,15)
InChIKeyQBVRNXAQJBHYNH-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.01
Rot. Bonds2

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

2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 116984695) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID116984695
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCNc1nc(C(=O)C(F)(F)F)c2n1CCCC2
InChIInChI=1S/C10H12F3N3O/c1-14-9-15-7(8(17)10(11,12)13)6-4-2-3-5-16(6)9/h2-5H2,1H3,(H,14,15)
InChIKeyQBVRNXAQJBHYNH-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone with MolForge

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Related Compounds

3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-1-carbaldehyde
CID 132327513
1-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazol-4-yl]propan-1-one
CID 54139313
Ethanone,1-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 57518456
Cyclopentyl-(3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-1-yl)-methanone
CID 57518459
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
CID 143827431
(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
CID 153179194
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155480634
5,6,7,8-Tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 11084049
1-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-benzimidazol-4-one
CID 82393353
1-[3-(Aminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984684
2,2,2-Trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984685
1-[3-(1-Aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984686

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone (CID 116984695) is 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is CNc1nc(C(=O)C(F)(F)F)c2n1CCCC2.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is QBVRNXAQJBHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-14-9-15-7(8(17)10(11,12)13)6-4-2-3-5-16(6)9/h2-5H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 2.01, 2 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-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 116984695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).