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

C12H14FN3O2 — CID 137385829

IUPAC2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2cc(O)cc(F)c2)CC2CNCCN12
InChIInChI=1S/C12H14FN3O2/c13-8-3-9(5-11(17)4-8)16-7-10-6-14-1-2-15(10)12(16)18/h3-5,10,14,17H,1-2,6-7H2
InChIKeyOUNUBBGDXMGBCD-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.75
Rot. Bonds1

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

2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 137385829) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID137385829
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2cc(O)cc(F)c2)CC2CNCCN12
InChIInChI=1S/C12H14FN3O2/c13-8-3-9(5-11(17)4-8)16-7-10-6-14-1-2-15(10)12(16)18/h3-5,10,14,17H,1-2,6-7H2
InChIKeyOUNUBBGDXMGBCD-UHFFFAOYSA-N
XLogP0.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 137385829) is 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(c2cc(O)cc(F)c2)CC2CNCCN12.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OUNUBBGDXMGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-8-3-9(5-11(17)4-8)16-7-10-6-14-1-2-15(10)12(16)18/h3-5,10,14,17H,1-2,6-7H2.
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 251.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-hydroxyphenyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 137385829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).