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

C13H18N4O2 — CID 66716082

IUPAC5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CCC1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10/h4-5,10H,1-3,6-9H2,(H,14,16)
InChIKeyJXMFNPSPRULPTR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds3

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

5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66716082) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66716082
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2nccnc2N1CCC1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10/h4-5,10H,1-3,6-9H2,(H,14,16)
InChIKeyJXMFNPSPRULPTR-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 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66716082) is 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2nccnc2N1CCC1CCOCC1.
What is the InChIKey of 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is JXMFNPSPRULPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11-9-16-12-13(15-5-4-14-12)17(11)6-1-10-2-7-19-8-3-10/h4-5,10H,1-3,6-9H2,(H,14,16).
What are the key properties of 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[2-(oxan-4-yl)ethyl]-7,8-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 5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66716082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).