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

C8H7BrN4O — CID 86694158

IUPAC5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2n1C1CC1
InChIInChI=1S/C8H7BrN4O/c9-5-3-10-6-7(11-5)13(4-1-2-4)8(14)12-6/h3-4H,1-2H2,(H,10,12,14)
InChIKeyQZFCGAULXPKETL-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.22
Rot. Bonds1

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

5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 86694158) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID86694158
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2n1C1CC1
InChIInChI=1S/C8H7BrN4O/c9-5-3-10-6-7(11-5)13(4-1-2-4)8(14)12-6/h3-4H,1-2H2,(H,10,12,14)
InChIKeyQZFCGAULXPKETL-UHFFFAOYSA-N
XLogP1.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one (CID 86694158) is 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(Br)nc2n1C1CC1.
What is the InChIKey of 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is QZFCGAULXPKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-5-3-10-6-7(11-5)13(4-1-2-4)8(14)12-6/h3-4H,1-2H2,(H,10,12,14).
What are the key properties of 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 255.07 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 86694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).