2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol

C12H17N5O — CID 80827493

IUPAC2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol
SMILESNc1cn2ccnc2c(NC2CCCCC2O)n1
InChIInChI=1S/C12H17N5O/c13-10-7-17-6-5-14-12(17)11(16-10)15-8-3-1-2-4-9(8)18/h5-9,18H,1-4,13H2,(H,15,16)
InChIKeyYXENPFAVWYYWPE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.03
Rot. Bonds2

About 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol

2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol (PubChem CID 80827493) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol
PubChem CID80827493
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol
SMILESNc1cn2ccnc2c(NC2CCCCC2O)n1
InChIInChI=1S/C12H17N5O/c13-10-7-17-6-5-14-12(17)11(16-10)15-8-3-1-2-4-9(8)18/h5-9,18H,1-4,13H2,(H,15,16)
InChIKeyYXENPFAVWYYWPE-UHFFFAOYSA-N
XLogP1.03
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol (CID 80827493) is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol is Nc1cn2ccnc2c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol?
The InChIKey is YXENPFAVWYYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-10-7-17-6-5-14-12(17)11(16-10)15-8-3-1-2-4-9(8)18/h5-9,18H,1-4,13H2,(H,15,16).
What are the key properties of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol?
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80827493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).