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

C13H17BrN4O2 — CID 71567083

IUPAC2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(16-10)18(8-11(19)17-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,17,19)
InChIKeyXHIYPVIUDQOFBN-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.81
Rot. Bonds3

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

2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 71567083) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID71567083
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(16-10)18(8-11(19)17-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,17,19)
InChIKeyXHIYPVIUDQOFBN-UHFFFAOYSA-N
XLogP1.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 71567083) is 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CCC2CCOCC2)c2nc(Br)cnc2N1.
What is the InChIKey of 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is XHIYPVIUDQOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(16-10)18(8-11(19)17-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,17,19).
What are the key properties of 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 341.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 71567083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).