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

C10H12N2O3S — CID 62940854

IUPAC3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1nccn(C2CC2)c1=O
InChIInChI=1S/C10H12N2O3S/c13-8(14)3-6-16-9-10(15)12(5-4-11-9)7-1-2-7/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeyDOFOCYZAKIBCSY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.14
Rot. Bonds5

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

3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid (PubChem CID 62940854) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid
PubChem CID62940854
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid
SMILESO=C(O)CCSc1nccn(C2CC2)c1=O
InChIInChI=1S/C10H12N2O3S/c13-8(14)3-6-16-9-10(15)12(5-4-11-9)7-1-2-7/h4-5,7H,1-3,6H2,(H,13,14)
InChIKeyDOFOCYZAKIBCSY-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid (CID 62940854) is 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid is O=C(O)CCSc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid?
The InChIKey is DOFOCYZAKIBCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8(14)3-6-16-9-10(15)12(5-4-11-9)7-1-2-7/h4-5,7H,1-3,6H2,(H,13,14).
What are the key properties of 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid?
3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-3-oxopyrazin-2-yl)sulfanylpropanoic acid is sourced from PubChem (CID 62940854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).