7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene

C10H7N6O2+ — CID 57063275

IUPAC7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene
SMILES[H]/N=N/N=C1C(=O)C2=CCC(=O)CC2=CC1=N[N+]#N
InChIInChI=1S/C10H7N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4,12H,1,3H2/q+1/b13-8?,14-9?,16-12+
InChIKeyKXZFXKZBLFVRCV-MGXSTMEPSA-N
MW243.21 g/mol
LogP1.38
Rot. Bonds1

About 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene

7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene (PubChem CID 57063275) has the molecular formula C10H7N6O2+ and a molecular weight of 243.21 g/mol. Its IUPAC name is 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene.

Molecular Properties

Compound Name7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene
PubChem CID57063275
Molecular FormulaC10H7N6O2+
Molecular Weight243.21 g/mol
Exact Mass243.06
IUPAC Name7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene
SMILES[H]/N=N/N=C1C(=O)C2=CCC(=O)CC2=CC1=N[N+]#N
InChIInChI=1S/C10H7N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4,12H,1,3H2/q+1/b13-8?,14-9?,16-12+
InChIKeyKXZFXKZBLFVRCV-MGXSTMEPSA-N
XLogP1.38
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
[(3-Diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038782
5-diazo-3H-naphthalene-1,2-dione
CID 141053386
3-Diazo-4,5-dihydroanthracene-1,9-dione
CID 173285901
1-diazo-6-diazonioimino-7-(iminohydrazinylidene)-5,8-dioxo-2H-naphthalene
CID 136180209

Frequently Asked Questions

What is the IUPAC name of 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene?
The IUPAC name of 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene (CID 57063275) is 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene.
What is the SMILES notation for 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene?
The canonical SMILES for 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene is [H]/N=N/N=C1C(=O)C2=CCC(=O)CC2=CC1=N[N+]#N.
What is the InChIKey of 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene?
The InChIKey is KXZFXKZBLFVRCV-MGXSTMEPSA-N. The full InChI is InChI=1S/C10H7N6O2/c11-15-13-8-4-5-3-6(17)1-2-7(5)10(18)9(8)14-16-12/h2,4,12H,1,3H2/q+1/b13-8?,14-9?,16-12+.
What are the key properties of 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene?
7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene has a molecular weight of 243.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diazonioimino-6-(iminohydrazinylidene)-2,5-dioxo-1,3-dihydronaphthalene is sourced from PubChem (CID 57063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).