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

C5H3BrN4O — CID 66864702

IUPAC3-bromo-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1Br
InChIInChI=1S/C5H3BrN4O/c6-10-4-3(9-5(10)11)7-1-2-8-4/h1-2H,(H,7,9,11)
InChIKeyUAPPJOODWJVHLG-UHFFFAOYSA-N
MW215.01 g/mol
LogP0.28
Rot. Bonds

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

3-bromo-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66864702) has the molecular formula C5H3BrN4O and a molecular weight of 215.01 g/mol. Its IUPAC name is 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-bromo-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66864702
Molecular FormulaC5H3BrN4O
Molecular Weight215.01 g/mol
Exact Mass213.95
IUPAC Name3-bromo-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1Br
InChIInChI=1S/C5H3BrN4O/c6-10-4-3(9-5(10)11)7-1-2-8-4/h1-2H,(H,7,9,11)
InChIKeyUAPPJOODWJVHLG-UHFFFAOYSA-N
XLogP0.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one (CID 66864702) is 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1Br.
What is the InChIKey of 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is UAPPJOODWJVHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4O/c6-10-4-3(9-5(10)11)7-1-2-8-4/h1-2H,(H,7,9,11).
What are the key properties of 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one?
3-bromo-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 215.01 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66864702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).