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

Triazolopyrimidine
CID 64962
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Pyrazolo[4,3-e][1,2,4]triazine
CID 53633572
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
1h-Pyrazolo[3,4-b]pyrazin-3-amine
CID 294464
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
7H-triazolo[5,1-f][1,2,4]triazine-4,6-diimine
CID 246909
4-Methylpyrazolo[5,1-c][1,2,4]triazine
CID 13011562
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
1,5,6-trimethyl-1H-pyrazolo[3,4-b]pyrazine
CID 301595
1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine
CID 585734
3-Bromo-1H-pyrazolo(3,4-b)pyrazine
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).