naphthalene-1,4-dione diazide

C10H6N6O2-2 — CID 21225906

IUPACnaphthalene-1,4-dione diazide
SMILESO=C1C=CC(=O)c2ccccc21.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C10H6O2.2N3/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;2*1-3-2/h1-6H;;/q;2*-1
InChIKeyQVEIBLDXZNGPHR-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.35
Rot. Bonds

About naphthalene-1,4-dione diazide

naphthalene-1,4-dione diazide (PubChem CID 21225906) has the molecular formula C10H6N6O2-2 and a molecular weight of 242.20 g/mol. Its IUPAC name is naphthalene-1,4-dione diazide.

Molecular Properties

Compound Namenaphthalene-1,4-dione diazide
PubChem CID21225906
Molecular FormulaC10H6N6O2-2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Namenaphthalene-1,4-dione diazide
SMILESO=C1C=CC(=O)c2ccccc21.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C10H6O2.2N3/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;2*1-3-2/h1-6H;;/q;2*-1
InChIKeyQVEIBLDXZNGPHR-UHFFFAOYSA-N
XLogP3.35
TPSA151.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,4-dione diazide?
The IUPAC name of naphthalene-1,4-dione diazide (CID 21225906) is naphthalene-1,4-dione diazide.
What is the SMILES notation for naphthalene-1,4-dione diazide?
The canonical SMILES for naphthalene-1,4-dione diazide is O=C1C=CC(=O)c2ccccc21.[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of naphthalene-1,4-dione diazide?
The InChIKey is QVEIBLDXZNGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.2N3/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;2*1-3-2/h1-6H;;/q;2*-1.
What are the key properties of naphthalene-1,4-dione diazide?
naphthalene-1,4-dione diazide has a molecular weight of 242.20 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,4-dione diazide is sourced from PubChem (CID 21225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).