(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one

C11H14F3N3O — CID 153179194

IUPAC(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
SMILESC[C@@H](CC(=O)c1ncn2c1CNCC2)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)4-9(18)10-8-5-15-2-3-17(8)6-16-10/h6-7,15H,2-5H2,1H3/t7-/m0/s1
InChIKeyWFUWKBNFPWAYRD-ZETCQYMHSA-N
MW261.25 g/mol
LogP1.76
Rot. Bonds3

About (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one

(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one (PubChem CID 153179194) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
PubChem CID153179194
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
SMILESC[C@@H](CC(=O)c1ncn2c1CNCC2)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)4-9(18)10-8-5-15-2-3-17(8)6-16-10/h6-7,15H,2-5H2,1H3/t7-/m0/s1
InChIKeyWFUWKBNFPWAYRD-ZETCQYMHSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155480634
2,2,2-Trifluoro-1-[3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984685
1-[3-(2-Aminoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 116984687
2,2,2-Trifluoro-1-[3-(methylamino)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethanone
CID 116984695
2,2,2-Trifluoro-1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)ethanone
CID 117522861
1-(3-Ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)-2,2,2-trifluoroethanone
CID 117522862
2,2,2-Trifluoro-1-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)ethanone
CID 117522863

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one?
The IUPAC name of (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one (CID 153179194) is (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one is C[C@@H](CC(=O)c1ncn2c1CNCC2)C(F)(F)F.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one?
The InChIKey is WFUWKBNFPWAYRD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(11(12,13)14)4-9(18)10-8-5-15-2-3-17(8)6-16-10/h6-7,15H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one?
(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one has a molecular weight of 261.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one is sourced from PubChem (CID 153179194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).