2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid

C11H8N4O2S — CID 6458484

IUPAC2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nc2ccccc2n2cnnc12
InChIInChI=1S/C11H8N4O2S/c16-9(17)5-18-11-10-14-12-6-15(10)8-4-2-1-3-7(8)13-11/h1-4,6H,5H2,(H,16,17)
InChIKeyMBZYTGLWOZAENI-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.45
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid

2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid (PubChem CID 6458484) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid
PubChem CID6458484
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nc2ccccc2n2cnnc12
InChIInChI=1S/C11H8N4O2S/c16-9(17)5-18-11-10-14-12-6-15(10)8-4-2-1-3-7(8)13-11/h1-4,6H,5H2,(H,16,17)
InChIKeyMBZYTGLWOZAENI-UHFFFAOYSA-N
XLogP1.45
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid (CID 6458484) is 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid is O=C(O)CSc1nc2ccccc2n2cnnc12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid?
The InChIKey is MBZYTGLWOZAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-9(17)5-18-11-10-14-12-6-15(10)8-4-2-1-3-7(8)13-11/h1-4,6H,5H2,(H,16,17).
What are the key properties of 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid?
2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid has a molecular weight of 260.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetic acid is sourced from PubChem (CID 6458484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).