[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide

C10H6N6O2 — CID 19038783

IUPAC[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=C2C=CCC(=O)C2C(=O)C1=NN=[N-]
InChIInChI=1S/C10H6N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8H,3H2
InChIKeyPBGDQUFOECWCLN-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.23
Rot. Bonds1

About [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide

[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide (PubChem CID 19038783) has the molecular formula C10H6N6O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
PubChem CID19038783
Molecular FormulaC10H6N6O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=C1C=C2C=CCC(=O)C2C(=O)C1=NN=[N-]
InChIInChI=1S/C10H6N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8H,3H2
InChIKeyPBGDQUFOECWCLN-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-Diazo-3-methyl-4a,8a-dihydronaphthalen-1-one
CID 134986621
[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
CID 18764876
2-Diazo-3,8a-dihydronaphthalen-1-one
CID 20687709
1-diazo-8a,9a-dihydro-4H-fluoren-9-one
CID 87376395
5-diazo-3H-naphthalene-1,2-dione
CID 141053386
6-Diazonioimino-7-(iminohydrazinylidene)-1,8-dioxo-2,8a-dihydronaphthalene
CID 57192611
2,3,5-tridiazo-4aH-naphthalene-1,4-dione
CID 136443156
5-diazo-4aH-naphthalene-1,4-dione
CID 136454128

Frequently Asked Questions

What is the IUPAC name of [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide (CID 19038783) is [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide is N#[N+]N=C1C=C2C=CCC(=O)C2C(=O)C1=NN=[N-].
What is the InChIKey of [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
The InChIKey is PBGDQUFOECWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2/c11-15-13-6-4-5-2-1-3-7(17)8(5)10(18)9(6)14-16-12/h1-2,4,8H,3H2.
What are the key properties of [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide?
[(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide has a molecular weight of 242.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 19038783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).