ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate

C10H9N3O4 — CID 168862194

IUPACethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(=O)cnc2[nH]c1=O
InChIInChI=1S/C10H9N3O4/c1-2-17-10(16)5-3-6-8(13-9(5)15)11-4-7(14)12-6/h3-4H,2H2,1H3,(H,12,14)(H,11,13,15)
InChIKeySMULFJXSVWRYCI-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.21
Rot. Bonds2

About ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate

ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 168862194) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID168862194
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Nameethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(=O)cnc2[nH]c1=O
InChIInChI=1S/C10H9N3O4/c1-2-17-10(16)5-3-6-8(13-9(5)15)11-4-7(14)12-6/h3-4H,2H2,1H3,(H,12,14)(H,11,13,15)
InChIKeySMULFJXSVWRYCI-UHFFFAOYSA-N
XLogP-0.21
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate (CID 168862194) is ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1cc2[nH]c(=O)cnc2[nH]c1=O.
What is the InChIKey of ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is SMULFJXSVWRYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-17-10(16)5-3-6-8(13-9(5)15)11-4-7(14)12-6/h3-4H,2H2,1H3,(H,12,14)(H,11,13,15).
What are the key properties of ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 235.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 168862194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).