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

C11H13BrN4O — CID 87183307

IUPAC5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2n1C1CCCCC1
InChIInChI=1S/C11H13BrN4O/c12-8-6-13-9-10(14-8)16(11(17)15-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15,17)
InChIKeyZTHFIYXLZKQTIZ-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.39
Rot. Bonds1

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

5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 87183307) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID87183307
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(Br)nc2n1C1CCCCC1
InChIInChI=1S/C11H13BrN4O/c12-8-6-13-9-10(14-8)16(11(17)15-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15,17)
InChIKeyZTHFIYXLZKQTIZ-UHFFFAOYSA-N
XLogP2.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one (CID 87183307) is 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(Br)nc2n1C1CCCCC1.
What is the InChIKey of 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ZTHFIYXLZKQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-6-13-9-10(14-8)16(11(17)15-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,15,17).
What are the key properties of 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 297.16 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 87183307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).