1-phenylpyrazolo[3,4-b]pyrazine

C11H8N4 — CID 13392144

IUPAC1-phenylpyrazolo[3,4-b]pyrazine
SMILESc1ccc(-n2ncc3nccnc32)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-10(8-14-15)12-6-7-13-11/h1-8H
InChIKeyZKNORTOOYUPROW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.82
Rot. Bonds1

About 1-phenylpyrazolo[3,4-b]pyrazine

1-phenylpyrazolo[3,4-b]pyrazine (PubChem CID 13392144) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-phenylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-phenylpyrazolo[3,4-b]pyrazine
PubChem CID13392144
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name1-phenylpyrazolo[3,4-b]pyrazine
SMILESc1ccc(-n2ncc3nccnc32)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-10(8-14-15)12-6-7-13-11/h1-8H
InChIKeyZKNORTOOYUPROW-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-phenylpyrazolo[3,4-b]pyrazine (CID 13392144) is 1-phenylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-phenylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-phenylpyrazolo[3,4-b]pyrazine is c1ccc(-n2ncc3nccnc32)cc1.
What is the InChIKey of 1-phenylpyrazolo[3,4-b]pyrazine?
The InChIKey is ZKNORTOOYUPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-10(8-14-15)12-6-7-13-11/h1-8H.
What are the key properties of 1-phenylpyrazolo[3,4-b]pyrazine?
1-phenylpyrazolo[3,4-b]pyrazine has a molecular weight of 196.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 13392144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).