2-(3-aminopyrazin-2-yl)sulfanylacetic acid

C6H7N3O2S — CID 106677989

IUPAC2-(3-aminopyrazin-2-yl)sulfanylacetic acid
SMILESNc1nccnc1SCC(=O)O
InChIInChI=1S/C6H7N3O2S/c7-5-6(9-2-1-8-5)12-3-4(10)11/h1-2H,3H2,(H2,7,8)(H,10,11)
InChIKeyHMEALBRHZIIKTN-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.24
Rot. Bonds3

About 2-(3-aminopyrazin-2-yl)sulfanylacetic acid

2-(3-aminopyrazin-2-yl)sulfanylacetic acid (PubChem CID 106677989) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanylacetic acid
PubChem CID106677989
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanylacetic acid
SMILESNc1nccnc1SCC(=O)O
InChIInChI=1S/C6H7N3O2S/c7-5-6(9-2-1-8-5)12-3-4(10)11/h1-2H,3H2,(H2,7,8)(H,10,11)
InChIKeyHMEALBRHZIIKTN-UHFFFAOYSA-N
XLogP0.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanylacetic acid (CID 106677989) is 2-(3-aminopyrazin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanylacetic acid is Nc1nccnc1SCC(=O)O.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanylacetic acid?
The InChIKey is HMEALBRHZIIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-5-6(9-2-1-8-5)12-3-4(10)11/h1-2H,3H2,(H2,7,8)(H,10,11).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanylacetic acid?
2-(3-aminopyrazin-2-yl)sulfanylacetic acid has a molecular weight of 185.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 106677989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).