2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol

C8H9N3OS — CID 104732232

IUPAC2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol
SMILESOCCSc1nccn2nccc12
InChIInChI=1S/C8H9N3OS/c12-5-6-13-8-7-1-2-10-11(7)4-3-9-8/h1-4,12H,5-6H2
InChIKeyJYMBNICRZRTODD-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.81
Rot. Bonds3

About 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol

2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol (PubChem CID 104732232) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol
PubChem CID104732232
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol
SMILESOCCSc1nccn2nccc12
InChIInChI=1S/C8H9N3OS/c12-5-6-13-8-7-1-2-10-11(7)4-3-9-8/h1-4,12H,5-6H2
InChIKeyJYMBNICRZRTODD-UHFFFAOYSA-N
XLogP0.81
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol (CID 104732232) is 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol is OCCSc1nccn2nccc12.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol?
The InChIKey is JYMBNICRZRTODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c12-5-6-13-8-7-1-2-10-11(7)4-3-9-8/h1-4,12H,5-6H2.
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol?
2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol has a molecular weight of 195.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrazin-4-ylsulfanylethanol is sourced from PubChem (CID 104732232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).