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

C9H11BrN4O — CID 87183197

IUPAC5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(C)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C9H11BrN4O/c1-9(2,3)14-7-6(13-8(14)15)11-4-5(10)12-7/h4H,1-3H3,(H,11,13,15)
InChIKeySCOUYZQKEZNSSB-UHFFFAOYSA-N
MW271.12 g/mol
LogP1.64
Rot. Bonds

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

5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 87183197) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID87183197
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(C)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C9H11BrN4O/c1-9(2,3)14-7-6(13-8(14)15)11-4-5(10)12-7/h4H,1-3H3,(H,11,13,15)
InChIKeySCOUYZQKEZNSSB-UHFFFAOYSA-N
XLogP1.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one (CID 87183197) is 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(C)n1c(=O)[nH]c2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is SCOUYZQKEZNSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-9(2,3)14-7-6(13-8(14)15)11-4-5(10)12-7/h4H,1-3H3,(H,11,13,15).
What are the key properties of 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 271.12 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butyl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 87183197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).