8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine

C12H16N4S — CID 80886028

IUPAC8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine
SMILESNc1cn2ccnc2c(SC2CCCCC2)n1
InChIInChI=1S/C12H16N4S/c13-10-8-16-7-6-14-11(16)12(15-10)17-9-4-2-1-3-5-9/h6-9H,1-5,13H2
InChIKeyVHFXEHVGQYLYJS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds2

About 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine

8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine (PubChem CID 80886028) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine
PubChem CID80886028
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine
SMILESNc1cn2ccnc2c(SC2CCCCC2)n1
InChIInChI=1S/C12H16N4S/c13-10-8-16-7-6-14-11(16)12(15-10)17-9-4-2-1-3-5-9/h6-9H,1-5,13H2
InChIKeyVHFXEHVGQYLYJS-UHFFFAOYSA-N
XLogP2.74
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine (CID 80886028) is 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine is Nc1cn2ccnc2c(SC2CCCCC2)n1.
What is the InChIKey of 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine?
The InChIKey is VHFXEHVGQYLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-10-8-16-7-6-14-11(16)12(15-10)17-9-4-2-1-3-5-9/h6-9H,1-5,13H2.
What are the key properties of 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine?
8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine has a molecular weight of 248.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80886028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).