7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C16H15F3N4O — CID 133412182

IUPAC7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ccnc4cc(C(F)(F)F)ccc34)CCN12
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)10-1-2-12-13(7-10)20-4-3-14(12)22-5-6-23-11(9-22)8-21-15(23)24/h1-4,7,11H,5-6,8-9H2,(H,21,24)
InChIKeyNJNQUJVIFOWDEP-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.47
Rot. Bonds1

About 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 133412182) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID133412182
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3ccnc4cc(C(F)(F)F)ccc34)CCN12
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)10-1-2-12-13(7-10)20-4-3-14(12)22-5-6-23-11(9-22)8-21-15(23)24/h1-4,7,11H,5-6,8-9H2,(H,21,24)
InChIKeyNJNQUJVIFOWDEP-UHFFFAOYSA-N
XLogP2.47
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 133412182) is 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3ccnc4cc(C(F)(F)F)ccc34)CCN12.
What is the InChIKey of 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NJNQUJVIFOWDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)10-1-2-12-13(7-10)20-4-3-14(12)22-5-6-23-11(9-22)8-21-15(23)24/h1-4,7,11H,5-6,8-9H2,(H,21,24).
What are the key properties of 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 336.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 133412182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).