2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid

C10H12N2O3S — CID 82375595

IUPAC2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid
SMILESCCC1C(=O)Nc2c(csc2C(=O)O)N1C
InChIInChI=1S/C10H12N2O3S/c1-3-5-9(13)11-7-6(12(5)2)4-16-8(7)10(14)15/h4-5H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWMADPFXGEQOZLO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.61
Rot. Bonds2

About 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid

2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 82375595) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid
PubChem CID82375595
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid
SMILESCCC1C(=O)Nc2c(csc2C(=O)O)N1C
InChIInChI=1S/C10H12N2O3S/c1-3-5-9(13)11-7-6(12(5)2)4-16-8(7)10(14)15/h4-5H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyWMADPFXGEQOZLO-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 82790655
3-(2-ethyl-3-oxopiperazin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102748767
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 79295856
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576560
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]benzoic acid
CID 66069699
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
4-oxo-2,3-dihydro-1H-thieno[3,4-b]pyridine-7-carboxylic acid
CID 112545369
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 103499573
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-methylbenzoic acid
CID 66067764
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
(3S)-3-ethyl-7-methoxy-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 125441566
2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84629074

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid (CID 82375595) is 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid is CCC1C(=O)Nc2c(csc2C(=O)O)N1C.
What is the InChIKey of 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is WMADPFXGEQOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-5-9(13)11-7-6(12(5)2)4-16-8(7)10(14)15/h4-5H,3H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid?
2-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 240.28 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-ethyl-1-methyl-3-oxo-2,4-dihydrothieno[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 82375595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).