[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide

C6H4N6O — CID 57054279

IUPAC[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C(=O)CC=CC1=NN=[N-]
InChIInChI=1S/C6H4N6O/c7-11-9-4-2-1-3-5(13)6(4)10-12-8/h1-2H,3H2
InChIKeyNQDJHNMXALWUIO-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.10
Rot. Bonds1

About [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide

[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide (PubChem CID 57054279) has the molecular formula C6H4N6O and a molecular weight of 176.14 g/mol. Its IUPAC name is [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide
PubChem CID57054279
Molecular FormulaC6H4N6O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C(=O)CC=CC1=NN=[N-]
InChIInChI=1S/C6H4N6O/c7-11-9-4-2-1-3-5(13)6(4)10-12-8/h1-2H,3H2
InChIKeyNQDJHNMXALWUIO-UHFFFAOYSA-N
XLogP1.10
TPSA104.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Diazocyclohex-3-en-1-one
CID 12924467
o-Quinone diazide
CID 20519573
6-Diazocyclohex-2-en-1-one
CID 53964219
Diazo-2-cyclohexenone
CID 54099273
5,6-Diiminocyclohex-3-en-1-one
CID 90851116
3-Diazocyclohex-4-ene-1,2-dione
CID 20317885
6-Diazocyclohex-3-en-1-one
CID 54501098
2-Iminocyclohex-3-en-1-one
CID 68978964
6-Diazocyclohex-3-ene-1,2-dione
CID 88520103
3-Iminocyclohex-4-ene-1,2-dione
CID 123191410
(6-Oxocyclohex-2-en-1-ylidene)azanium
CID 163991159
2-Iminocyclohex-3-en-1-one;nickel
CID 174698832

Frequently Asked Questions

What is the IUPAC name of [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide (CID 57054279) is [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide is N#[N+]N=C1C(=O)CC=CC1=NN=[N-].
What is the InChIKey of [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide?
The InChIKey is NQDJHNMXALWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O/c7-11-9-4-2-1-3-5(13)6(4)10-12-8/h1-2H,3H2.
What are the key properties of [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide?
[(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide has a molecular weight of 176.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-diazonioimino-5-oxocyclohex-2-en-1-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 57054279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).