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

C10H6N6O4 — CID 10423449

IUPAC6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)nc2[nH]c1=O
InChIInChI=1S/C10H6N6O4/c17-9-10(18)14-7-5(12-9)3-6(16(19)20)8(13-7)15-2-1-11-4-15/h1-4H,(H,12,17)(H,13,14,18)
InChIKeyOCEDPPPKQBHDND-UHFFFAOYSA-N
MW274.20 g/mol
LogP-0.29
Rot. Bonds2

About 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10423449) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10423449
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Name6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)nc2[nH]c1=O
InChIInChI=1S/C10H6N6O4/c17-9-10(18)14-7-5(12-9)3-6(16(19)20)8(13-7)15-2-1-11-4-15/h1-4H,(H,12,17)(H,13,14,18)
InChIKeyOCEDPPPKQBHDND-UHFFFAOYSA-N
XLogP-0.29
TPSA139.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10423449) is 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)nc2[nH]c1=O.
What is the InChIKey of 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is OCEDPPPKQBHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O4/c17-9-10(18)14-7-5(12-9)3-6(16(19)20)8(13-7)15-2-1-11-4-15/h1-4H,(H,12,17)(H,13,14,18).
What are the key properties of 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 274.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10423449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).