8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione

C7H4N4O2 — CID 137221361

IUPAC8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione
SMILES[H]/N=C1\C(=O)C(=O)Nc2nccnc21
InChIInChI=1S/C7H4N4O2/c8-3-4-6(10-2-1-9-4)11-7(13)5(3)12/h1-2,8H,(H,10,11,13)/b8-3-
InChIKeyLIICYBMMDRDAJG-BAQGIRSFSA-N
MW176.14 g/mol
LogP-0.63
Rot. Bonds

About 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione

8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione (PubChem CID 137221361) has the molecular formula C7H4N4O2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione.

Molecular Properties

Compound Name8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione
PubChem CID137221361
Molecular FormulaC7H4N4O2
Molecular Weight176.14 g/mol
Exact Mass176.03
IUPAC Name8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione
SMILES[H]/N=C1\C(=O)C(=O)Nc2nccnc21
InChIInChI=1S/C7H4N4O2/c8-3-4-6(10-2-1-9-4)11-7(13)5(3)12/h1-2,8H,(H,10,11,13)/b8-3-
InChIKeyLIICYBMMDRDAJG-BAQGIRSFSA-N
XLogP-0.63
TPSA95.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione?
The IUPAC name of 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione (CID 137221361) is 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione.
What is the SMILES notation for 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione?
The canonical SMILES for 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione is [H]/N=C1\C(=O)C(=O)Nc2nccnc21.
What is the InChIKey of 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione?
The InChIKey is LIICYBMMDRDAJG-BAQGIRSFSA-N. The full InChI is InChI=1S/C7H4N4O2/c8-3-4-6(10-2-1-9-4)11-7(13)5(3)12/h1-2,8H,(H,10,11,13)/b8-3-.
What are the key properties of 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione?
8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione has a molecular weight of 176.14 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-5H-pyrido[2,3-b]pyrazine-6,7-dione is sourced from PubChem (CID 137221361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).