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

C13H17BrN4O2 — CID 86644651

IUPAC3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(Br)nc2N1CCC1CCOCC1
InChIInChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(17-10)18(11(19)8-16-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,16)
InChIKeyPFFKLYJCSGCBHD-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.81
Rot. Bonds3

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

3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 86644651) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID86644651
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(Br)nc2N1CCC1CCOCC1
InChIInChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(17-10)18(11(19)8-16-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,16)
InChIKeyPFFKLYJCSGCBHD-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 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-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 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 86644651) is 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2ncc(Br)nc2N1CCC1CCOCC1.
What is the InChIKey of 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is PFFKLYJCSGCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-10-7-15-12-13(17-10)18(11(19)8-16-12)4-1-9-2-5-20-6-3-9/h7,9H,1-6,8H2,(H,15,16).
What are the key properties of 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-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 3-bromo-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86644651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).