5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine

C9H11BrN4 — CID 169232947

IUPAC5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
SMILESCC(C)c1nc2ncc(Br)nc2n1C
InChIInChI=1S/C9H11BrN4/c1-5(2)8-13-7-9(14(8)3)12-6(10)4-11-7/h4-5H,1-3H3
InChIKeyCEVSHSFKRABHEN-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.25
Rot. Bonds1

About 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine

5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine (PubChem CID 169232947) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
PubChem CID169232947
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
SMILESCC(C)c1nc2ncc(Br)nc2n1C
InChIInChI=1S/C9H11BrN4/c1-5(2)8-13-7-9(14(8)3)12-6(10)4-11-7/h4-5H,1-3H3
InChIKeyCEVSHSFKRABHEN-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine?
The IUPAC name of 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine (CID 169232947) is 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine?
The canonical SMILES for 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine is CC(C)c1nc2ncc(Br)nc2n1C.
What is the InChIKey of 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine?
The InChIKey is CEVSHSFKRABHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-5(2)8-13-7-9(14(8)3)12-6(10)4-11-7/h4-5H,1-3H3.
What are the key properties of 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine?
5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine has a molecular weight of 255.12 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine is sourced from PubChem (CID 169232947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).