3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine

C11H13BrN4 — CID 130328976

IUPAC3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine
SMILESBrc1nn(C2CCCCC2)c2nccnc12
InChIInChI=1S/C11H13BrN4/c12-10-9-11(14-7-6-13-9)16(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHAGXSEDOEXKZOR-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine

3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine (PubChem CID 130328976) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine
PubChem CID130328976
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine
SMILESBrc1nn(C2CCCCC2)c2nccnc12
InChIInChI=1S/C11H13BrN4/c12-10-9-11(14-7-6-13-9)16(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHAGXSEDOEXKZOR-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylpyrazolo[3,4-b]pyrazin-3-amine
CID 97181303
5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636
3-bromo-1-cyclopentyl-1,2,4-triazole
CID 119053455
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
6-amino-5-cyclohexylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118612798
6-chloro-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyrazine;ethane
CID 142484560
3-bromo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 91663938
5-cyclohexylpyrrolo[2,3-b]pyrazin-6-amine
CID 118612825
6-bromo-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 74789553
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
CID 175750682
3-bromo-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 126509833

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine (CID 130328976) is 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine is Brc1nn(C2CCCCC2)c2nccnc12.
What is the InChIKey of 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine?
The InChIKey is HAGXSEDOEXKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-10-9-11(14-7-6-13-9)16(15-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine?
3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine has a molecular weight of 281.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclohexylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 130328976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).