5-bromo-6-thiophen-2-ylpyrazin-2-amine

C8H6BrN3S — CID 59457654

IUPAC5-bromo-6-thiophen-2-ylpyrazin-2-amine
SMILESNc1cnc(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H6BrN3S/c9-8-7(5-2-1-3-13-5)12-6(10)4-11-8/h1-4H,(H2,10,12)
InChIKeyGTQJLCVPVCHSRS-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.55
Rot. Bonds1

About 5-bromo-6-thiophen-2-ylpyrazin-2-amine

5-bromo-6-thiophen-2-ylpyrazin-2-amine (PubChem CID 59457654) has the molecular formula C8H6BrN3S and a molecular weight of 256.13 g/mol. Its IUPAC name is 5-bromo-6-thiophen-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-6-thiophen-2-ylpyrazin-2-amine
PubChem CID59457654
Molecular FormulaC8H6BrN3S
Molecular Weight256.13 g/mol
Exact Mass254.95
IUPAC Name5-bromo-6-thiophen-2-ylpyrazin-2-amine
SMILESNc1cnc(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H6BrN3S/c9-8-7(5-2-1-3-13-5)12-6(10)4-11-8/h1-4H,(H2,10,12)
InChIKeyGTQJLCVPVCHSRS-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-thiophen-2-ylpyrazin-2-amine?
The IUPAC name of 5-bromo-6-thiophen-2-ylpyrazin-2-amine (CID 59457654) is 5-bromo-6-thiophen-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-6-thiophen-2-ylpyrazin-2-amine?
The canonical SMILES for 5-bromo-6-thiophen-2-ylpyrazin-2-amine is Nc1cnc(Br)c(-c2cccs2)n1.
What is the InChIKey of 5-bromo-6-thiophen-2-ylpyrazin-2-amine?
The InChIKey is GTQJLCVPVCHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S/c9-8-7(5-2-1-3-13-5)12-6(10)4-11-8/h1-4H,(H2,10,12).
What are the key properties of 5-bromo-6-thiophen-2-ylpyrazin-2-amine?
5-bromo-6-thiophen-2-ylpyrazin-2-amine has a molecular weight of 256.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-thiophen-2-ylpyrazin-2-amine is sourced from PubChem (CID 59457654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).