[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide

C10H6N6O2 — CID 19038782

IUPAC[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=C2CC(=O)CC=C2C(=O)C1=NN=[N-]
InChIInChI=1S/C10H6N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4H,1,3H2
InChIKeyXBKAMFDETUVCJX-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.37
Rot. Bonds1

About [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide

[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide (PubChem CID 19038782) has the molecular formula C10H6N6O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
PubChem CID19038782
Molecular FormulaC10H6N6O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=C2CC(=O)CC=C2C(=O)C1=NN=[N-]
InChIInChI=1S/C10H6N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4H,1,3H2
InChIKeyXBKAMFDETUVCJX-UHFFFAOYSA-N
XLogP1.37
TPSA121.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
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': '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

[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
CID 18764876
5-diazo-6H-naphthalene-1,4-dione
CID 23202654
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
5-diazo-3H-naphthalene-1,2-dione
CID 141053386
3-Diazo-4,5-dihydroanthracene-1,9-dione
CID 173285901
7-Diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene
CID 57063275
1-diazo-6-diazonioimino-7-(iminohydrazinylidene)-5,8-dioxo-2H-naphthalene
CID 136180209
2,3,5-tridiazo-4aH-naphthalene-1,4-dione
CID 136443156

Frequently Asked Questions

What is the IUPAC name of [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide (CID 19038782) is [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide is N#[N+]N=C1C=C2CC(=O)CC=C2C(=O)C1=NN=[N-].
What is the InChIKey of [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The InChIKey is XBKAMFDETUVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4H,1,3H2.
What are the key properties of [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
[(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide has a molecular weight of 242.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 19038782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).