[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide

C10H4N8O2 — CID 18764876

IUPAC[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1c(=O)c2c(c(=O)c1=NN=[N-])C(=[N+]=[N-])CC=C2
InChIInChI=1S/C10H4N8O2/c11-14-5-3-1-2-4-6(5)10(20)8(16-18-13)7(9(4)19)15-17-12/h1-2H,3H2
InChIKeyGTYGWIFMWVSNFQ-UHFFFAOYSA-N
MW268.20 g/mol
LogP-0.78
Rot. Bonds1

About [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide

[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide (PubChem CID 18764876) has the molecular formula C10H4N8O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
PubChem CID18764876
Molecular FormulaC10H4N8O2
Molecular Weight268.20 g/mol
Exact Mass268.05
IUPAC Name[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide
SMILESN#[N+]N=c1c(=O)c2c(c(=O)c1=NN=[N-])C(=[N+]=[N-])CC=C2
InChIInChI=1S/C10H4N8O2/c11-14-5-3-1-2-4-6(5)10(20)8(16-18-13)7(9(4)19)15-17-12/h1-2H,3H2
InChIKeyGTYGWIFMWVSNFQ-UHFFFAOYSA-N
XLogP-0.78
TPSA158.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', '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

[(3-Diazonioimino-1,6-dioxo-5,7-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038782
[(3-Diazonioimino-1,8-dioxo-7,8a-dihydronaphthalen-2-ylidene)hydrazinylidene]azanide
CID 19038783
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 [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide (CID 18764876) is [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide is N#[N+]N=c1c(=O)c2c(c(=O)c1=NN=[N-])C(=[N+]=[N-])CC=C2.
What is the InChIKey of [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide?
The InChIKey is GTYGWIFMWVSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N8O2/c11-14-5-3-1-2-4-6(5)10(20)8(16-18-13)7(9(4)19)15-17-12/h1-2H,3H2.
What are the key properties of [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide?
[(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide has a molecular weight of 268.20 g/mol, XLogP of -0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-diazo-3-diazonioimino-1,4-dioxo-7H-naphthalen-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 18764876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).