1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione

C6H4N2O3 — CID 720157

IUPAC1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cocc2[nH]c1=O
InChIInChI=1S/C6H4N2O3/c9-5-6(10)8-4-2-11-1-3(4)7-5/h1-2H,(H,7,9)(H,8,10)
InChIKeyILEIFTCMBOPBAP-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.19
Rot. Bonds

About 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione

1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione (PubChem CID 720157) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione
PubChem CID720157
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cocc2[nH]c1=O
InChIInChI=1S/C6H4N2O3/c9-5-6(10)8-4-2-11-1-3(4)7-5/h1-2H,(H,7,9)(H,8,10)
InChIKeyILEIFTCMBOPBAP-UHFFFAOYSA-N
XLogP-0.19
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.19
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

3-Acetamidofuran
CID 521882
3-N,4-N-dimethylfuran-3,4-diamine
CID 21099945
N-(furan-3-yl)prop-2-enamide
CID 59502646
(4-Aminofuran-3-yl)carbamic acid
CID 66872728
N-[4-(dimethylamino)furan-3-yl]-N-methylacetamide
CID 89778196
N-(furan-3-yl)propanamide
CID 91321891
2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1-(Furan-3-yl)piperazin-2-one
CID 131062759
3-N,3-N-dimethylfuran-3,4-diamine
CID 140081880
ethane;N-methyl-N-[4-(methylamino)furan-3-yl]prop-2-enamide
CID 144268433
tert-butyl N-(4-aminofuran-3-yl)carbamate
CID 166978029
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylacetamide
CID 170424174

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione?
The IUPAC name of 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione (CID 720157) is 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione.
What is the SMILES notation for 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione?
The canonical SMILES for 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione is O=c1[nH]c2cocc2[nH]c1=O.
What is the InChIKey of 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione?
The InChIKey is ILEIFTCMBOPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-5-6(10)8-4-2-11-1-3(4)7-5/h1-2H,(H,7,9)(H,8,10).
What are the key properties of 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione?
1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione has a molecular weight of 152.11 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrofuro[3,4-b]pyrazine-2,3-dione is sourced from PubChem (CID 720157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).