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

C9H10N2O3S — CID 62938586

IUPAC2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn(C2CC2)c1=O
InChIInChI=1S/C9H10N2O3S/c12-7(13)5-15-8-9(14)11(4-3-10-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyKDDTUPBKSQXSJE-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.75
Rot. Bonds4

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

2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid (PubChem CID 62938586) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid
PubChem CID62938586
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn(C2CC2)c1=O
InChIInChI=1S/C9H10N2O3S/c12-7(13)5-15-8-9(14)11(4-3-10-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyKDDTUPBKSQXSJE-UHFFFAOYSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid (CID 62938586) is 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid is O=C(O)CSc1nccn(C2CC2)c1=O.
What is the InChIKey of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
The InChIKey is KDDTUPBKSQXSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-7(13)5-15-8-9(14)11(4-3-10-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid?
2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid has a molecular weight of 226.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 62938586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).