8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C13H18N4O2 — CID 141265900

IUPAC8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nccnc2N1
InChIInChI=1S/C13H18N4O2/c18-11-9-17(6-1-10-2-7-19-8-3-10)13-12(16-11)14-4-5-15-13/h4-5,10H,1-3,6-9H2,(H,14,16,18)
InChIKeyHHMRKMBURXEAPV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds3

About 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 141265900) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID141265900
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nccnc2N1
InChIInChI=1S/C13H18N4O2/c18-11-9-17(6-1-10-2-7-19-8-3-10)13-12(16-11)14-4-5-15-13/h4-5,10H,1-3,6-9H2,(H,14,16,18)
InChIKeyHHMRKMBURXEAPV-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 141265900) is 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CCC2CCOCC2)c2nccnc2N1.
What is the InChIKey of 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is HHMRKMBURXEAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11-9-17(6-1-10-2-7-19-8-3-10)13-12(16-11)14-4-5-15-13/h4-5,10H,1-3,6-9H2,(H,14,16,18).
What are the key properties of 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 262.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 141265900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).