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

C11H13BrN4O2 — CID 86644648

IUPAC2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(C2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C11H13BrN4O2/c12-8-5-13-10-11(14-8)16(6-9(17)15-10)7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H,13,15,17)
InChIKeyUGNVJEFFXOAVDT-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.18
Rot. Bonds1

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

2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 86644648) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID86644648
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(C2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C11H13BrN4O2/c12-8-5-13-10-11(14-8)16(6-9(17)15-10)7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H,13,15,17)
InChIKeyUGNVJEFFXOAVDT-UHFFFAOYSA-N
XLogP1.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 86644648) is 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(C2CCOCC2)c2nc(Br)cnc2N1.
What is the InChIKey of 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is UGNVJEFFXOAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c12-8-5-13-10-11(14-8)16(6-9(17)15-10)7-1-3-18-4-2-7/h5,7H,1-4,6H2,(H,13,15,17).
What are the key properties of 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 313.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86644648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).