5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C5H3BrN4O — CID 70700300

IUPAC5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2[nH]1
InChIInChI=1S/C5H3BrN4O/c6-2-1-7-3-4(8-2)10-5(11)9-3/h1H,(H2,7,8,9,10,11)
InChIKeyKNHWRTKKDFEAEB-UHFFFAOYSA-N
MW215.01 g/mol
LogP0.41
Rot. Bonds

About 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 70700300) has the molecular formula C5H3BrN4O and a molecular weight of 215.01 g/mol. Its IUPAC name is 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID70700300
Molecular FormulaC5H3BrN4O
Molecular Weight215.01 g/mol
Exact Mass213.95
IUPAC Name5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2[nH]1
InChIInChI=1S/C5H3BrN4O/c6-2-1-7-3-4(8-2)10-5(11)9-3/h1H,(H2,7,8,9,10,11)
InChIKeyKNHWRTKKDFEAEB-UHFFFAOYSA-N
XLogP0.41
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 70700300) is 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(Br)nc2[nH]1.
What is the InChIKey of 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is KNHWRTKKDFEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4O/c6-2-1-7-3-4(8-2)10-5(11)9-3/h1H,(H2,7,8,9,10,11).
What are the key properties of 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 215.01 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 70700300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).