6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C11H14N2O2S — CID 19100705

IUPAC6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCCCc1c(CC)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C11H14N2O2S/c1-3-5-6-7(4-2)16-11-8(6)12-9(14)10(15)13-11/h3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyCXHQDZTUHFSBHS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.79
Rot. Bonds3

About 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100705) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100705
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCCCc1c(CC)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C11H14N2O2S/c1-3-5-6-7(4-2)16-11-8(6)12-9(14)10(15)13-11/h3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyCXHQDZTUHFSBHS-UHFFFAOYSA-N
XLogP1.79
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100736
6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100739
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848
5,6-dipropyl-1H-pyrimidine-2,4-dione
CID 154112220
5-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 57268919
6-methyl-7-[(E)-prop-1-enyl]-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100802
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
CID 65354690
6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
6-cyclopentyl-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 23186995
7-chloro-1,4-dihydro-[1]benzothiolo[2,3-b]pyrazine-2,3-dione
CID 19800077
5-ethyl-2-methyl-4-propyl-1,3-thiazole
CID 588155

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100705) is 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is CCCc1c(CC)sc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is CXHQDZTUHFSBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-5-6-7(4-2)16-11-8(6)12-9(14)10(15)13-11/h3-5H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 238.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-propyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).