2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid

C7H4N2O3S — CID 67125586

IUPAC2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cnc2s1
InChIInChI=1S/C7H4N2O3S/c10-5-2-8-6-3(9-5)1-4(13-6)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyMWZNXFSEFPRQLD-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.68
Rot. Bonds1

About 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid

2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 67125586) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID67125586
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cnc2s1
InChIInChI=1S/C7H4N2O3S/c10-5-2-8-6-3(9-5)1-4(13-6)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyMWZNXFSEFPRQLD-UHFFFAOYSA-N
XLogP0.68
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid (CID 67125586) is 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2[nH]c(=O)cnc2s1.
What is the InChIKey of 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is MWZNXFSEFPRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-5-2-8-6-3(9-5)1-4(13-6)7(11)12/h1-2H,(H,9,10)(H,11,12).
What are the key properties of 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid?
2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 196.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-thieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 67125586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).