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

C12H15BrN4O2 — CID 71567084

IUPAC2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CC2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C12H15BrN4O2/c13-9-5-14-11-12(15-9)17(7-10(18)16-11)6-8-1-3-19-4-2-8/h5,8H,1-4,6-7H2,(H,14,16,18)
InChIKeyQDVDHIVRAQKVLS-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.42
Rot. Bonds2

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

2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 71567084) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID71567084
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CC2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C12H15BrN4O2/c13-9-5-14-11-12(15-9)17(7-10(18)16-11)6-8-1-3-19-4-2-8/h5,8H,1-4,6-7H2,(H,14,16,18)
InChIKeyQDVDHIVRAQKVLS-UHFFFAOYSA-N
XLogP1.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.42
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-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 71567084) is 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CC2CCOCC2)c2nc(Br)cnc2N1.
What is the InChIKey of 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is QDVDHIVRAQKVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c13-9-5-14-11-12(15-9)17(7-10(18)16-11)6-8-1-3-19-4-2-8/h5,8H,1-4,6-7H2,(H,14,16,18).
What are the key properties of 2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-bromo-8-(oxan-4-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 327.18 g/mol, XLogP of 1.42, 2 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-ylmethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 71567084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).