8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C9H9N3O2 — CID 119086958

IUPAC8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCCc1ccnc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H9N3O2/c1-2-5-3-4-10-7-6(5)11-8(13)9(14)12-7/h3-4H,2H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyPBILOPFMSNFCFO-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.17
Rot. Bonds1

About 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 119086958) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID119086958
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCCc1ccnc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H9N3O2/c1-2-5-3-4-10-7-6(5)11-8(13)9(14)12-7/h3-4H,2H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyPBILOPFMSNFCFO-UHFFFAOYSA-N
XLogP0.17
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 119086958) is 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is CCc1ccnc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is PBILOPFMSNFCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-5-3-4-10-7-6(5)11-8(13)9(14)12-7/h3-4H,2H2,1H3,(H,11,13)(H,10,12,14).
What are the key properties of 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 119086958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).