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

C7H4N4O4 — CID 10774715

IUPAC7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])cnc2[nH]c1=O
InChIInChI=1S/C7H4N4O4/c12-6-7(13)10-5-4(9-6)1-3(2-8-5)11(14)15/h1-2H,(H,9,12)(H,8,10,13)
InChIKeyFZAAGBYLDXVMRM-UHFFFAOYSA-N
MW208.13 g/mol
LogP-0.48
Rot. Bonds1

About 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10774715) has the molecular formula C7H4N4O4 and a molecular weight of 208.13 g/mol. Its IUPAC name is 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10774715
Molecular FormulaC7H4N4O4
Molecular Weight208.13 g/mol
Exact Mass208.02
IUPAC Name7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])cnc2[nH]c1=O
InChIInChI=1S/C7H4N4O4/c12-6-7(13)10-5-4(9-6)1-3(2-8-5)11(14)15/h1-2H,(H,9,12)(H,8,10,13)
InChIKeyFZAAGBYLDXVMRM-UHFFFAOYSA-N
XLogP-0.48
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10774715) is 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])cnc2[nH]c1=O.
What is the InChIKey of 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is FZAAGBYLDXVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O4/c12-6-7(13)10-5-4(9-6)1-3(2-8-5)11(14)15/h1-2H,(H,9,12)(H,8,10,13).
What are the key properties of 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 208.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10774715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).