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

C7H5N3O2 — CID 10797083

IUPAC1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccncc2[nH]c1=O
InChIInChI=1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12)
InChIKeyXJBUUVXPCSJTDR-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.39
Rot. Bonds

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

1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (PubChem CID 10797083) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
PubChem CID10797083
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccncc2[nH]c1=O
InChIInChI=1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12)
InChIKeyXJBUUVXPCSJTDR-UHFFFAOYSA-N
XLogP-0.39
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.39
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 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The IUPAC name of 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (CID 10797083) is 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.
What is the SMILES notation for 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The canonical SMILES for 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is O=c1[nH]c2ccncc2[nH]c1=O.
What is the InChIKey of 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The InChIKey is XJBUUVXPCSJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-6-7(12)10-5-3-8-2-1-4(5)9-6/h1-3H,(H,9,11)(H,10,12).
What are the key properties of 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione has a molecular weight of 163.14 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is sourced from PubChem (CID 10797083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).