7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H16N4O2 — CID 82983264

IUPAC7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(Cc3ccc(O)cn3)CCN12
InChIInChI=1S/C12H16N4O2/c17-11-2-1-9(13-6-11)7-15-3-4-16-10(8-15)5-14-12(16)18/h1-2,6,10,17H,3-5,7-8H2,(H,14,18)
InChIKeyHBHOUUSXPNRXPZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.00
Rot. Bonds2

About 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 82983264) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID82983264
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(Cc3ccc(O)cn3)CCN12
InChIInChI=1S/C12H16N4O2/c17-11-2-1-9(13-6-11)7-15-3-4-16-10(8-15)5-14-12(16)18/h1-2,6,10,17H,3-5,7-8H2,(H,14,18)
InChIKeyHBHOUUSXPNRXPZ-UHFFFAOYSA-N
XLogP-0.00
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 82983264) is 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(Cc3ccc(O)cn3)CCN12.
What is the InChIKey of 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is HBHOUUSXPNRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11-2-1-9(13-6-11)7-15-3-4-16-10(8-15)5-14-12(16)18/h1-2,6,10,17H,3-5,7-8H2,(H,14,18).
What are the key properties of 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 82983264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).