2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid

C7H8N2O3S — CID 55211771

IUPAC2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid
SMILESCn1ccnc(SCC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3S/c1-9-3-2-8-6(7(9)12)13-4-5(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyHKDGRERKHWOLIO-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.04
Rot. Bonds3

About 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid

2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid (PubChem CID 55211771) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid
PubChem CID55211771
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid
SMILESCn1ccnc(SCC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3S/c1-9-3-2-8-6(7(9)12)13-4-5(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyHKDGRERKHWOLIO-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid (CID 55211771) is 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid is Cn1ccnc(SCC(=O)O)c1=O.
What is the InChIKey of 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The InChIKey is HKDGRERKHWOLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-9-3-2-8-6(7(9)12)13-4-5(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid has a molecular weight of 200.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxopyrazin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 55211771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).