1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one

C7H6N4O — CID 14096526

IUPAC1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESC=Cn1ncc2[nH]c(=O)cnc21
InChIInChI=1S/C7H6N4O/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChIKeyWTUPAFHROXOFKB-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.22
Rot. Bonds1

About 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one

1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 14096526) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID14096526
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESC=Cn1ncc2[nH]c(=O)cnc21
InChIInChI=1S/C7H6N4O/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12)
InChIKeyWTUPAFHROXOFKB-UHFFFAOYSA-N
XLogP0.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 14096526) is 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one is C=Cn1ncc2[nH]c(=O)cnc21.
What is the InChIKey of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is WTUPAFHROXOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-2-11-7-5(3-9-11)10-6(12)4-8-7/h2-4H,1H2,(H,10,12).
What are the key properties of 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 162.15 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 14096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).