[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide

C8H4N6O4 — CID 23190202

IUPAC[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C(=NN=[N-])C=CC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C8H4N6O4/c9-13-11-4-2-1-3(7(15)16)5(8(17)18)6(4)12-14-10/h1-2H,(H,15,16)(H,17,18)
InChIKeyFSGXBRYJJNKAPY-UHFFFAOYSA-N
MW248.16 g/mol
LogP0.61
Rot. Bonds3

About [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide

[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide (PubChem CID 23190202) has the molecular formula C8H4N6O4 and a molecular weight of 248.16 g/mol. Its IUPAC name is [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
PubChem CID23190202
Molecular FormulaC8H4N6O4
Molecular Weight248.16 g/mol
Exact Mass248.03
IUPAC Name[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C(=NN=[N-])C=CC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C8H4N6O4/c9-13-11-4-2-1-3(7(15)16)5(8(17)18)6(4)12-14-10/h1-2H,(H,15,16)(H,17,18)
InChIKeyFSGXBRYJJNKAPY-UHFFFAOYSA-N
XLogP0.61
TPSA162.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide (CID 23190202) is [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide is N#[N+]N=C1C(=NN=[N-])C=CC(C(=O)O)=C1C(=O)O.
What is the InChIKey of [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The InChIKey is FSGXBRYJJNKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6O4/c9-13-11-4-2-1-3(7(15)16)5(8(17)18)6(4)12-14-10/h1-2H,(H,15,16)(H,17,18).
What are the key properties of [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
[(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide has a molecular weight of 248.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dicarboxy-6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 23190202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).