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

C8H9BrN4O — CID 87114618

IUPAC5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C8H9BrN4O/c1-4(2)13-7-6(12-8(13)14)10-3-5(9)11-7/h3-4H,1-2H3,(H,10,12,14)
InChIKeyRAGKXJIFFMBPQH-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.46
Rot. Bonds1

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

5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 87114618) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID87114618
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C8H9BrN4O/c1-4(2)13-7-6(12-8(13)14)10-3-5(9)11-7/h3-4H,1-2H3,(H,10,12,14)
InChIKeyRAGKXJIFFMBPQH-UHFFFAOYSA-N
XLogP1.46
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 87114618) is 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)n1c(=O)[nH]c2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is RAGKXJIFFMBPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-4(2)13-7-6(12-8(13)14)10-3-5(9)11-7/h3-4H,1-2H3,(H,10,12,14).
What are the key properties of 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 257.09 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 87114618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).