5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine

C5H4BrN5 — CID 57415872

IUPAC5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1[nH]nc2ncc(Br)nc12
InChIInChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
InChIKeyVDDJIDGFTDEJFJ-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.70
Rot. Bonds

About 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine

5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 57415872) has the molecular formula C5H4BrN5 and a molecular weight of 214.03 g/mol. Its IUPAC name is 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID57415872
Molecular FormulaC5H4BrN5
Molecular Weight214.03 g/mol
Exact Mass212.97
IUPAC Name5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESNc1[nH]nc2ncc(Br)nc12
InChIInChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11)
InChIKeyVDDJIDGFTDEJFJ-UHFFFAOYSA-N
XLogP0.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Triazolopyrimidine
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-Bromo-1H-pyrazolo(3,4-b)pyrazine
CID 12913749
3-Methyl-1H-pyrazolo[4,3-b]pyrazine
CID 57415857
6-Chloro-1H-pyrazolo[3,4-b]pyrazine
CID 71463967
5-Methyltriazolopyrimidine
CID 69403299
Pyrazolo[3,4-b]pyrazine, 5,6-dimethyl-
CID 121399479
[1,2,4]Triazolo[1,5-c]pteridin-2-amine
CID 639080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine (CID 57415872) is 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine is Nc1[nH]nc2ncc(Br)nc12.
What is the InChIKey of 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is VDDJIDGFTDEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11).
What are the key properties of 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine?
5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 214.03 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 57415872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).