7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid

C8H8N2O4S — CID 82375638

IUPAC7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
SMILESCSc1oc(C(=O)O)c2c1NCC(=O)N2
InChIInChI=1S/C8H8N2O4S/c1-15-8-5-4(6(14-8)7(12)13)10-3(11)2-9-5/h9H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeySTPYCJAAKLNQAZ-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.06
Rot. Bonds2

About 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid

7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 82375638) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
PubChem CID82375638
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid
SMILESCSc1oc(C(=O)O)c2c1NCC(=O)N2
InChIInChI=1S/C8H8N2O4S/c1-15-8-5-4(6(14-8)7(12)13)10-3(11)2-9-5/h9H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeySTPYCJAAKLNQAZ-UHFFFAOYSA-N
XLogP1.06
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid (CID 82375638) is 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid is CSc1oc(C(=O)O)c2c1NCC(=O)N2.
What is the InChIKey of 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is STPYCJAAKLNQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c1-15-8-5-4(6(14-8)7(12)13)10-3(11)2-9-5/h9H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid?
7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 228.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-3-oxo-2,4-dihydro-1H-furo[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 82375638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).