1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol

C7H8N4O — CID 44829120

IUPAC1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol
SMILESCC(O)c1cnc2[nH]ncc2n1
InChIInChI=1S/C7H8N4O/c1-4(12)5-2-8-7-6(10-5)3-9-11-7/h2-4,12H,1H3,(H,8,9,11)
InChIKeySIUBERZWBNWZSE-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.41
Rot. Bonds1

About 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol

1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol (PubChem CID 44829120) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol.

Molecular Properties

Compound Name1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol
PubChem CID44829120
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol
SMILESCC(O)c1cnc2[nH]ncc2n1
InChIInChI=1S/C7H8N4O/c1-4(12)5-2-8-7-6(10-5)3-9-11-7/h2-4,12H,1H3,(H,8,9,11)
InChIKeySIUBERZWBNWZSE-UHFFFAOYSA-N
XLogP0.41
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine
CID 118012662
1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol
CID 45108332
(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine
CID 178024186
1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol
CID 143854102
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
1-(5-chloro-6-ethylpyrazin-2-yl)ethanol
CID 162520398
methanol;1H-pyrazolo[3,4-d]pyrimidine
CID 158521229
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
CID 140989785
4-(6-propan-2-yl-3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine
CID 158268219
3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
CID 170828207
3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 138701227

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol?
The IUPAC name of 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol (CID 44829120) is 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol.
What is the SMILES notation for 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol?
The canonical SMILES for 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol is CC(O)c1cnc2[nH]ncc2n1.
What is the InChIKey of 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol?
The InChIKey is SIUBERZWBNWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4(12)5-2-8-7-6(10-5)3-9-11-7/h2-4,12H,1H3,(H,8,9,11).
What are the key properties of 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol?
1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol has a molecular weight of 164.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol is sourced from PubChem (CID 44829120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).