7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H15F2N3O2 — CID 136531573

IUPAC7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1C(C(=O)N2CCN3C(=O)NCC3C2)C1(F)F
InChIInChI=1S/C11H15F2N3O2/c1-6-8(11(6,12)13)9(17)15-2-3-16-7(5-15)4-14-10(16)18/h6-8H,2-5H2,1H3,(H,14,18)
InChIKeyTUBFFERDJDHGDO-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.12
Rot. Bonds1

About 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 136531573) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID136531573
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1C(C(=O)N2CCN3C(=O)NCC3C2)C1(F)F
InChIInChI=1S/C11H15F2N3O2/c1-6-8(11(6,12)13)9(17)15-2-3-16-7(5-15)4-14-10(16)18/h6-8H,2-5H2,1H3,(H,14,18)
InChIKeyTUBFFERDJDHGDO-UHFFFAOYSA-N
XLogP0.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 136531573) is 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1C(C(=O)N2CCN3C(=O)NCC3C2)C1(F)F.
What is the InChIKey of 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is TUBFFERDJDHGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-6-8(11(6,12)13)9(17)15-2-3-16-7(5-15)4-14-10(16)18/h6-8H,2-5H2,1H3,(H,14,18).
What are the key properties of 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 259.26 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoro-3-methylcyclopropanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 136531573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).