1,6-diethylpyrazolo[3,4-b]pyrazine

C9H12N4 — CID 166104049

IUPAC1,6-diethylpyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CC)c2n1
InChIInChI=1S/C9H12N4/c1-3-7-5-10-8-6-11-13(4-2)9(8)12-7/h5-6H,3-4H2,1-2H3
InChIKeyUONZCJGAWWUJBU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.41
Rot. Bonds2

About 1,6-diethylpyrazolo[3,4-b]pyrazine

1,6-diethylpyrazolo[3,4-b]pyrazine (PubChem CID 166104049) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,6-diethylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1,6-diethylpyrazolo[3,4-b]pyrazine
PubChem CID166104049
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1,6-diethylpyrazolo[3,4-b]pyrazine
SMILESCCc1cnc2cnn(CC)c2n1
InChIInChI=1S/C9H12N4/c1-3-7-5-10-8-6-11-13(4-2)9(8)12-7/h5-6H,3-4H2,1-2H3
InChIKeyUONZCJGAWWUJBU-UHFFFAOYSA-N
XLogP1.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1,6-diethylpyrazolo[3,4-b]pyrazine (CID 166104049) is 1,6-diethylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1,6-diethylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1,6-diethylpyrazolo[3,4-b]pyrazine is CCc1cnc2cnn(CC)c2n1.
What is the InChIKey of 1,6-diethylpyrazolo[3,4-b]pyrazine?
The InChIKey is UONZCJGAWWUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-7-5-10-8-6-11-13(4-2)9(8)12-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,6-diethylpyrazolo[3,4-b]pyrazine?
1,6-diethylpyrazolo[3,4-b]pyrazine has a molecular weight of 176.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).