1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol

C13H12N4O — CID 45108332

IUPAC1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol
SMILESCC(O)c1nc2cn[nH]c2nc1-c1ccccc1
InChIInChI=1S/C13H12N4O/c1-8(18)11-12(9-5-3-2-4-6-9)16-13-10(15-11)7-14-17-13/h2-8,18H,1H3,(H,14,16,17)
InChIKeyRNDYNDYJYHEFPD-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.07
Rot. Bonds2

About 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol

1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol (PubChem CID 45108332) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol.

Molecular Properties

Compound Name1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol
PubChem CID45108332
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol
SMILESCC(O)c1nc2cn[nH]c2nc1-c1ccccc1
InChIInChI=1S/C13H12N4O/c1-8(18)11-12(9-5-3-2-4-6-9)16-13-10(15-11)7-14-17-13/h2-8,18H,1H3,(H,14,16,17)
InChIKeyRNDYNDYJYHEFPD-UHFFFAOYSA-N
XLogP2.07
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol?
The IUPAC name of 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol (CID 45108332) is 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol.
What is the SMILES notation for 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol?
The canonical SMILES for 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol is CC(O)c1nc2cn[nH]c2nc1-c1ccccc1.
What is the InChIKey of 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol?
The InChIKey is RNDYNDYJYHEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8(18)11-12(9-5-3-2-4-6-9)16-13-10(15-11)7-14-17-13/h2-8,18H,1H3,(H,14,16,17).
What are the key properties of 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol?
1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol has a molecular weight of 240.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol is sourced from PubChem (CID 45108332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).