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

C11H14N4O — CID 59587817

IUPAC3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCCCC1
InChIInChI=1S/C11H14N4O/c16-11-14-9-10(13-7-6-12-9)15(11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14,16)
InChIKeyPKCQATLNBUPDJX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds1

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

3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 59587817) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID59587817
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nccnc2n1C1CCCCC1
InChIInChI=1S/C11H14N4O/c16-11-14-9-10(13-7-6-12-9)15(11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14,16)
InChIKeyPKCQATLNBUPDJX-UHFFFAOYSA-N
XLogP1.62
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one (CID 59587817) is 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nccnc2n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is PKCQATLNBUPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-11-14-9-10(13-7-6-12-9)15(11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14,16).
What are the key properties of 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one?
3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 59587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).