6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene

C10H7N6O2+ — CID 57192611

IUPAC6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene
SMILES[H]/N=N/N=C1C(=O)C2C(=O)CC=CC2=CC1=N[N+]#N
InChIInChI=1S/C10H7N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8,12H,3H2/q+1/b13-6?,14-9?,16-12+
InChIKeyAMJQJQSTZFBIIE-QVSNLDFBSA-N
MW243.21 g/mol
LogP1.24
Rot. Bonds1

About 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene

6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene (PubChem CID 57192611) has the molecular formula C10H7N6O2+ and a molecular weight of 243.21 g/mol. Its IUPAC name is 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene.

Molecular Properties

Compound Name6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene
PubChem CID57192611
Molecular FormulaC10H7N6O2+
Molecular Weight243.21 g/mol
Exact Mass243.06
IUPAC Name6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene
SMILES[H]/N=N/N=C1C(=O)C2C(=O)CC=CC2=CC1=N[N+]#N
InChIInChI=1S/C10H7N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8,12H,3H2/q+1/b13-6?,14-9?,16-12+
InChIKeyAMJQJQSTZFBIIE-QVSNLDFBSA-N
XLogP1.24
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 ≤ 51.24
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(3-Diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038783
(1Z)-1-hydrazinylidene-3-methyl-3,8a-dihydronaphthalen-2-one
CID 126737662
4-hydrazinylidene-6,7,8,8a-tetrahydro-1H-naphthalen-2-one
CID 156776019
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 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene?
The IUPAC name of 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene (CID 57192611) is 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene.
What is the SMILES notation for 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene?
The canonical SMILES for 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene is [H]/N=N/N=C1C(=O)C2C(=O)CC=CC2=CC1=N[N+]#N.
What is the InChIKey of 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene?
The InChIKey is AMJQJQSTZFBIIE-QVSNLDFBSA-N. The full InChI is InChI=1S/C10H7N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8,12H,3H2/q+1/b13-6?,14-9?,16-12+.
What are the key properties of 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene?
6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene has a molecular weight of 243.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene is sourced from PubChem (CID 57192611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).