[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide

C6H2N6O2 — CID 20519573

IUPAC[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1ccc(=O)c(=O)c1=NN=[N-]
InChIInChI=1S/C6H2N6O2/c7-11-9-3-1-2-4(13)6(14)5(3)10-12-8/h1-2H
InChIKeyYTAZPEITCYOMCJ-UHFFFAOYSA-N
MW190.12 g/mol
LogP-1.21
Rot. Bonds1

About [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide

[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide (PubChem CID 20519573) has the molecular formula C6H2N6O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide
PubChem CID20519573
Molecular FormulaC6H2N6O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Name[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1ccc(=O)c(=O)c1=NN=[N-]
InChIInChI=1S/C6H2N6O2/c7-11-9-3-1-2-4(13)6(14)5(3)10-12-8/h1-2H
InChIKeyYTAZPEITCYOMCJ-UHFFFAOYSA-N
XLogP-1.21
TPSA121.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide (CID 20519573) is [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide is N#[N+]N=c1ccc(=O)c(=O)c1=NN=[N-].
What is the InChIKey of [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide?
The InChIKey is YTAZPEITCYOMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N6O2/c7-11-9-3-1-2-4(13)6(14)5(3)10-12-8/h1-2H.
What are the key properties of [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide?
[(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide has a molecular weight of 190.12 g/mol, XLogP of -1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-diazonioimino-5,6-dioxocyclohex-3-en-1-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 20519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).