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

C11H13F3N4O — CID 141185782

IUPAC1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10-16-9(18-4-1-2-8(18)19)7-6-15-3-5-17(7)10/h15H,1-6H2
InChIKeyLEGYWEKJOVVDOC-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.13
Rot. Bonds1

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

1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one (PubChem CID 141185782) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
PubChem CID141185782
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10-16-9(18-4-1-2-8(18)19)7-6-15-3-5-17(7)10/h15H,1-6H2
InChIKeyLEGYWEKJOVVDOC-UHFFFAOYSA-N
XLogP1.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one (CID 141185782) is 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one is O=C1CCCN1c1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
The InChIKey is LEGYWEKJOVVDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)10-16-9(18-4-1-2-8(18)19)7-6-15-3-5-17(7)10/h15H,1-6H2.
What are the key properties of 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one?
1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one has a molecular weight of 274.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 141185782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).