2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one

C12H16F3N3O — CID 143827432

IUPAC2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one
SMILESCCC(C)C(=O)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C12H16F3N3O/c1-3-7(2)10(19)9-8-6-16-4-5-18(8)11(17-9)12(13,14)15/h7,16H,3-6H2,1-2H3
InChIKeyUVJZEAWMWFQZDH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.23
Rot. Bonds3

About 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one

2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one (PubChem CID 143827432) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one
PubChem CID143827432
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one
SMILESCCC(C)C(=O)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C12H16F3N3O/c1-3-7(2)10(19)9-8-6-16-4-5-18(8)11(17-9)12(13,14)15/h7,16H,3-6H2,1-2H3
InChIKeyUVJZEAWMWFQZDH-UHFFFAOYSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
Ethanone,1-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 57518456
1-cyclopentanecarbonyl-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl ester
CID 57518458
Cyclopentyl-(3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-1-yl)-methanone
CID 57518459
1-[3-(4,4-difluorocyclohexyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]ethanone
CID 89528188
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
CID 143827431
1-[5-Pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone
CID 151157566
(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-(4,4-Difluorocyclohexyl)-2-methyl-3-propan-2-ylimidazole-4-carboxamide
CID 175397406
5-Heptan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 175972274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one (CID 143827432) is 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one is CCC(C)C(=O)c1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one?
The InChIKey is UVJZEAWMWFQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-7(2)10(19)9-8-6-16-4-5-18(8)11(17-9)12(13,14)15/h7,16H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one?
2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one has a molecular weight of 275.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one is sourced from PubChem (CID 143827432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).