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

C12H16BrN5O2 — CID 86644645

IUPAC2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCN2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C12H16BrN5O2/c13-9-7-14-11-12(15-9)18(8-10(19)16-11)2-1-17-3-5-20-6-4-17/h7H,1-6,8H2,(H,14,16,19)
InChIKeyXGKFKGKAWKAJOW-UHFFFAOYSA-N
MW342.20 g/mol
LogP0.33
Rot. Bonds3

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

2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 86644645) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID86644645
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCN2CCOCC2)c2nc(Br)cnc2N1
InChIInChI=1S/C12H16BrN5O2/c13-9-7-14-11-12(15-9)18(8-10(19)16-11)2-1-17-3-5-20-6-4-17/h7H,1-6,8H2,(H,14,16,19)
InChIKeyXGKFKGKAWKAJOW-UHFFFAOYSA-N
XLogP0.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 86644645) is 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CCN2CCOCC2)c2nc(Br)cnc2N1.
What is the InChIKey of 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is XGKFKGKAWKAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c13-9-7-14-11-12(15-9)18(8-10(19)16-11)2-1-17-3-5-20-6-4-17/h7H,1-6,8H2,(H,14,16,19).
What are the key properties of 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 342.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2-morpholin-4-ylethyl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86644645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).