5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C11H13BrN4O — CID 118431154

IUPAC5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(Br)c(C3CCCCC3)nc2[nH]1
InChIInChI=1S/C11H13BrN4O/c12-8-7(6-4-2-1-3-5-6)13-9-10(14-8)16-11(17)15-9/h6H,1-5H2,(H2,13,14,15,16,17)
InChIKeyCPVPBTVOQKZANM-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.46
Rot. Bonds1

About 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 118431154) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID118431154
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(Br)c(C3CCCCC3)nc2[nH]1
InChIInChI=1S/C11H13BrN4O/c12-8-7(6-4-2-1-3-5-6)13-9-10(14-8)16-11(17)15-9/h6H,1-5H2,(H2,13,14,15,16,17)
InChIKeyCPVPBTVOQKZANM-UHFFFAOYSA-N
XLogP2.46
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 118431154) is 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(Br)c(C3CCCCC3)nc2[nH]1.
What is the InChIKey of 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is CPVPBTVOQKZANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-7(6-4-2-1-3-5-6)13-9-10(14-8)16-11(17)15-9/h6H,1-5H2,(H2,13,14,15,16,17).
What are the key properties of 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 297.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclohexyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 118431154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).