3-bromo-2H-pyrazolo[3,4-b]pyrazine

C5H3BrN4 — CID 12913749

IUPAC3-bromo-2H-pyrazolo[3,4-b]pyrazine
SMILESBrc1[nH]nc2nccnc12
InChIInChI=1S/C5H3BrN4/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,8,9,10)
InChIKeyTVXWHRBXOWQEJD-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.12
Rot. Bonds

About 3-bromo-2H-pyrazolo[3,4-b]pyrazine

3-bromo-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 12913749) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 3-bromo-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-bromo-2H-pyrazolo[3,4-b]pyrazine
PubChem CID12913749
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name3-bromo-2H-pyrazolo[3,4-b]pyrazine
SMILESBrc1[nH]nc2nccnc12
InChIInChI=1S/C5H3BrN4/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,8,9,10)
InChIKeyTVXWHRBXOWQEJD-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64962
4,7-Diaza-1H-indazole
CID 12913751
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Pyrazolo[4,3-e][1,2,4]triazine
CID 53633572
1h-Pyrazolo[3,4-b]pyrazin-3-amine
CID 294464
1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine
CID 585734
3-Methyl-1H-pyrazolo[4,3-b]pyrazine
CID 57415857
3-Amino-5-bromo-1H-pyrazolo(3,4-b)pyrazine
CID 57415872
6-Chloro-1H-pyrazolo[3,4-b]pyrazine
CID 71463967
Pyrazolo[3,4-b]pyrazine, 5,6-dimethyl-
CID 121399479
Pyrazolo[3,4-e]as-triazine
CID 66828268
1H-Pyrazolo(3,4-b)pyrazine-3-carbonitrile
CID 72213702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-bromo-2H-pyrazolo[3,4-b]pyrazine (CID 12913749) is 3-bromo-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-bromo-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-bromo-2H-pyrazolo[3,4-b]pyrazine is Brc1[nH]nc2nccnc12.
What is the InChIKey of 3-bromo-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is TVXWHRBXOWQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,8,9,10).
What are the key properties of 3-bromo-2H-pyrazolo[3,4-b]pyrazine?
3-bromo-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 199.01 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 12913749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).