1H-pyrazolo[3,4-b]pyrazine

C5H4N4 — CID 12913751

IUPAC1H-pyrazolo[3,4-b]pyrazine
SMILESc1cnc2[nH]ncc2n1
InChIInChI=1S/C5H4N4/c1-2-7-5-4(6-1)3-8-9-5/h1-3H,(H,7,8,9)
InChIKeyDDZGQYREBDXECY-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

About 1H-pyrazolo[3,4-b]pyrazine

1H-pyrazolo[3,4-b]pyrazine (PubChem CID 12913751) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1H-pyrazolo[3,4-b]pyrazine
PubChem CID12913751
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name1H-pyrazolo[3,4-b]pyrazine
SMILESc1cnc2[nH]ncc2n1
InChIInChI=1S/C5H4N4/c1-2-7-5-4(6-1)3-8-9-5/h1-3H,(H,7,8,9)
InChIKeyDDZGQYREBDXECY-UHFFFAOYSA-N
XLogP0.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53633572
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CID 25247836
CID 25247836
CID 294464
CID 294464
CID 296470
CID 296470
CID 246909
CID 246909
CID 13011562
CID 13011562
CID 21192071
CID 21192071
CID 301595
CID 301595
CID 585734
CID 585734
CID 12913749
CID 12913749

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1H-pyrazolo[3,4-b]pyrazine (CID 12913751) is 1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1H-pyrazolo[3,4-b]pyrazine is c1cnc2[nH]ncc2n1.
What is the InChIKey of 1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is DDZGQYREBDXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-2-7-5-4(6-1)3-8-9-5/h1-3H,(H,7,8,9).
What are the key properties of 1H-pyrazolo[3,4-b]pyrazine?
1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 120.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 12913751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).