2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid

C11H12N2O3S — CID 82376427

IUPAC2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid
SMILESCN1c2c(csc2C(=O)O)NC(=O)C1C1CC1
InChIInChI=1S/C11H12N2O3S/c1-13-7(5-2-3-5)10(14)12-6-4-17-9(8(6)13)11(15)16/h4-5,7H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyPJBLIUIFWKDAAP-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.61
Rot. Bonds2

About 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid

2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid (PubChem CID 82376427) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid
PubChem CID82376427
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid
SMILESCN1c2c(csc2C(=O)O)NC(=O)C1C1CC1
InChIInChI=1S/C11H12N2O3S/c1-13-7(5-2-3-5)10(14)12-6-4-17-9(8(6)13)11(15)16/h4-5,7H,2-3H2,1H3,(H,12,14)(H,15,16)
InChIKeyPJBLIUIFWKDAAP-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid (CID 82376427) is 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid is CN1c2c(csc2C(=O)O)NC(=O)C1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid?
The InChIKey is PJBLIUIFWKDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13-7(5-2-3-5)10(14)12-6-4-17-9(8(6)13)11(15)16/h4-5,7H,2-3H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid?
2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 82376427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).