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

C6H4N6 — CID 12025387

IUPAC[(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=CC=CC1=NN=[N-]
InChIInChI=1S/C6H4N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1-4H
InChIKeyIKLDJIXGIQCFFQ-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.70
Rot. Bonds1

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

[(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide (PubChem CID 12025387) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
PubChem CID12025387
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name[(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=CC=CC1=NN=[N-]
InChIInChI=1S/C6H4N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1-4H
InChIKeyIKLDJIXGIQCFFQ-UHFFFAOYSA-N
XLogP1.70
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide (CID 12025387) is [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide is N#[N+]N=C1C=CC=CC1=NN=[N-].
What is the InChIKey of [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
The InChIKey is IKLDJIXGIQCFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1-4H.
What are the key properties of [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide?
[(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide has a molecular weight of 160.14 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-diazonioiminocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 12025387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).