7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one

C14H12N2O4 — CID 12573856

IUPAC7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(OC)c(C2OC(=O)c3nccnc32)c1
InChIInChI=1S/C14H12N2O4/c1-18-8-3-4-10(19-2)9(7-8)13-11-12(14(17)20-13)16-6-5-15-11/h3-7,13H,1-2H3
InChIKeyDDMNGUJLGWFSTD-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.75
Rot. Bonds3

About 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one

7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one (PubChem CID 12573856) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one
PubChem CID12573856
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one
SMILESCOc1ccc(OC)c(C2OC(=O)c3nccnc32)c1
InChIInChI=1S/C14H12N2O4/c1-18-8-3-4-10(19-2)9(7-8)13-11-12(14(17)20-13)16-6-5-15-11/h3-7,13H,1-2H3
InChIKeyDDMNGUJLGWFSTD-UHFFFAOYSA-N
XLogP1.75
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one (CID 12573856) is 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one is COc1ccc(OC)c(C2OC(=O)c3nccnc32)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one?
The InChIKey is DDMNGUJLGWFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-18-8-3-4-10(19-2)9(7-8)13-11-12(14(17)20-13)16-6-5-15-11/h3-7,13H,1-2H3.
What are the key properties of 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one?
7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one has a molecular weight of 272.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 12573856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).