5-pyrazin-2-ylsulfanylpyrazin-2-amine

C8H7N5S — CID 80664326

IUPAC5-pyrazin-2-ylsulfanylpyrazin-2-amine
SMILESNc1cnc(Sc2cnccn2)cn1
InChIInChI=1S/C8H7N5S/c9-6-3-13-8(5-12-6)14-7-4-10-1-2-11-7/h1-5H,(H2,9,12)
InChIKeyAQFZJSSDGXCAHH-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.00
Rot. Bonds2

About 5-pyrazin-2-ylsulfanylpyrazin-2-amine

5-pyrazin-2-ylsulfanylpyrazin-2-amine (PubChem CID 80664326) has the molecular formula C8H7N5S and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-pyrazin-2-ylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-pyrazin-2-ylsulfanylpyrazin-2-amine
PubChem CID80664326
Molecular FormulaC8H7N5S
Molecular Weight205.25 g/mol
Exact Mass205.04
IUPAC Name5-pyrazin-2-ylsulfanylpyrazin-2-amine
SMILESNc1cnc(Sc2cnccn2)cn1
InChIInChI=1S/C8H7N5S/c9-6-3-13-8(5-12-6)14-7-4-10-1-2-11-7/h1-5H,(H2,9,12)
InChIKeyAQFZJSSDGXCAHH-UHFFFAOYSA-N
XLogP1.00
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-ylsulfanylpyrazin-2-amine?
The IUPAC name of 5-pyrazin-2-ylsulfanylpyrazin-2-amine (CID 80664326) is 5-pyrazin-2-ylsulfanylpyrazin-2-amine.
What is the SMILES notation for 5-pyrazin-2-ylsulfanylpyrazin-2-amine?
The canonical SMILES for 5-pyrazin-2-ylsulfanylpyrazin-2-amine is Nc1cnc(Sc2cnccn2)cn1.
What is the InChIKey of 5-pyrazin-2-ylsulfanylpyrazin-2-amine?
The InChIKey is AQFZJSSDGXCAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5S/c9-6-3-13-8(5-12-6)14-7-4-10-1-2-11-7/h1-5H,(H2,9,12).
What are the key properties of 5-pyrazin-2-ylsulfanylpyrazin-2-amine?
5-pyrazin-2-ylsulfanylpyrazin-2-amine has a molecular weight of 205.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-ylsulfanylpyrazin-2-amine is sourced from PubChem (CID 80664326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).