2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine

C12H14BrN3 — CID 86688137

IUPAC2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1cnc2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C12H14BrN3/c13-11-7-14-12-10(15-11)6-9(16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16)
InChIKeyCHPUYMPNRHZIDE-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.77
Rot. Bonds1

About 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine

2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 86688137) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID86688137
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1cnc2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C12H14BrN3/c13-11-7-14-12-10(15-11)6-9(16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16)
InChIKeyCHPUYMPNRHZIDE-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine (CID 86688137) is 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine is Brc1cnc2[nH]c(C3CCCCC3)cc2n1.
What is the InChIKey of 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is CHPUYMPNRHZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-11-7-14-12-10(15-11)6-9(16-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,14,16).
What are the key properties of 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine?
2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 280.17 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 86688137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).