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

C13H18N4O2 — CID 82906966

IUPAC2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCn2ccccc2=O)CC2CNCCN12
InChIInChI=1S/C13H18N4O2/c18-12-3-1-2-5-15(12)7-8-16-10-11-9-14-4-6-17(11)13(16)19/h1-3,5,11,14H,4,6-10H2
InChIKeyAMJBXHNEWRCZCN-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.44
Rot. Bonds3

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

2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 82906966) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID82906966
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(CCn2ccccc2=O)CC2CNCCN12
InChIInChI=1S/C13H18N4O2/c18-12-3-1-2-5-15(12)7-8-16-10-11-9-14-4-6-17(11)13(16)19/h1-3,5,11,14H,4,6-10H2
InChIKeyAMJBXHNEWRCZCN-UHFFFAOYSA-N
XLogP-0.44
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 82906966) is 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1N(CCn2ccccc2=O)CC2CNCCN12.
What is the InChIKey of 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is AMJBXHNEWRCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-3-1-2-5-15(12)7-8-16-10-11-9-14-4-6-17(11)13(16)19/h1-3,5,11,14H,4,6-10H2.
What are the key properties of 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 262.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 82906966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).