2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol

C7H8N4OS — CID 16729543

IUPAC2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol
SMILESOCCSc1ncnc2[nH]ncc12
InChIInChI=1S/C7H8N4OS/c12-1-2-13-7-5-3-10-11-6(5)8-4-9-7/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKeyYXZCEZINPRMBRE-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.44
Rot. Bonds3

About 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol

2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol (PubChem CID 16729543) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol
PubChem CID16729543
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol
SMILESOCCSc1ncnc2[nH]ncc12
InChIInChI=1S/C7H8N4OS/c12-1-2-13-7-5-3-10-11-6(5)8-4-9-7/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKeyYXZCEZINPRMBRE-UHFFFAOYSA-N
XLogP0.44
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol?
The IUPAC name of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol (CID 16729543) is 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol?
The canonical SMILES for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol is OCCSc1ncnc2[nH]ncc12.
What is the InChIKey of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol?
The InChIKey is YXZCEZINPRMBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c12-1-2-13-7-5-3-10-11-6(5)8-4-9-7/h3-4,12H,1-2H2,(H,8,9,10,11).
What are the key properties of 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol?
2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol has a molecular weight of 196.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)ethanol is sourced from PubChem (CID 16729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).