5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one

C9H11BrN4O2 — CID 24815334

IUPAC5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](CO)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C9H11BrN4O2/c1-2-5(4-15)14-8-7(13-9(14)16)11-3-6(10)12-8/h3,5,15H,2,4H2,1H3,(H,11,13,16)/t5-/m1/s1
InChIKeyHRHMIFIUUCUENC-RXMQYKEDSA-N
MW287.12 g/mol
LogP0.83
Rot. Bonds3

About 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one

5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24815334) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24815334
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](CO)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C9H11BrN4O2/c1-2-5(4-15)14-8-7(13-9(14)16)11-3-6(10)12-8/h3,5,15H,2,4H2,1H3,(H,11,13,16)/t5-/m1/s1
InChIKeyHRHMIFIUUCUENC-RXMQYKEDSA-N
XLogP0.83
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24815334) is 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is CC[C@H](CO)n1c(=O)[nH]c2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is HRHMIFIUUCUENC-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c1-2-5(4-15)14-8-7(13-9(14)16)11-3-6(10)12-8/h3,5,15H,2,4H2,1H3,(H,11,13,16)/t5-/m1/s1.
What are the key properties of 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 287.12 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2R)-1-hydroxybutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24815334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).