2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide

C8H12N4OS — CID 63381255

IUPAC2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide
SMILESCNC(CSc1cnccn1)C(N)=O
InChIInChI=1S/C8H12N4OS/c1-10-6(8(9)13)5-14-7-4-11-2-3-12-7/h2-4,6,10H,5H2,1H3,(H2,9,13)
InChIKeyFREQLBBVUQZOMG-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.36
Rot. Bonds5

About 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide

2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide (PubChem CID 63381255) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide
PubChem CID63381255
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide
SMILESCNC(CSc1cnccn1)C(N)=O
InChIInChI=1S/C8H12N4OS/c1-10-6(8(9)13)5-14-7-4-11-2-3-12-7/h2-4,6,10H,5H2,1H3,(H2,9,13)
InChIKeyFREQLBBVUQZOMG-UHFFFAOYSA-N
XLogP-0.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide (CID 63381255) is 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide is CNC(CSc1cnccn1)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is FREQLBBVUQZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-10-6(8(9)13)5-14-7-4-11-2-3-12-7/h2-4,6,10H,5H2,1H3,(H2,9,13).
What are the key properties of 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide?
2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 212.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63381255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).