[azido(nitro)amino] cyanate

CN6O3 — CID 151884984

IUPAC[azido(nitro)amino] cyanate
SMILESN#CON(N=[N+]=[N-])[N+](=O)[O-]
InChIInChI=1S/CN6O3/c2-1-10-6(5-4-3)7(8)9
InChIKeySPMYZFWIQMPXEF-UHFFFAOYSA-N
MW144.05 g/mol
LogP0.12
Rot. Bonds3

About [azido(nitro)amino] cyanate

[azido(nitro)amino] cyanate (PubChem CID 151884984) has the molecular formula CN6O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is [azido(nitro)amino] cyanate.

Molecular Properties

Compound Name[azido(nitro)amino] cyanate
PubChem CID151884984
Molecular FormulaCN6O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Name[azido(nitro)amino] cyanate
SMILESN#CON(N=[N+]=[N-])[N+](=O)[O-]
InChIInChI=1S/CN6O3/c2-1-10-6(5-4-3)7(8)9
InChIKeySPMYZFWIQMPXEF-UHFFFAOYSA-N
XLogP0.12
TPSA128.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-[amino(azido)amino]nitramide
CID 154301428
CID 175225659
CID 175225659
platinum(2+);dinitrate;hydrate
CID 172723097
platinum(2+);dinitrate;dihydrate
CID 174146497
N-(2-diazohydrazinyl)-N-nitrosonitramide
CID 154426901
(diazidohydrazinylidene)-oxomethane
CID 154281247
4-azido-5-nitrobenzene-1,2-dicarbonitrile
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[azido-(N'-nitrocarbamimidoyl)amino]urea
CID 154101531
nitroxyl anion;ruthenium;trinitrate
CID 75366843
tris(platinum(2+));hexanitrate
CID 158036528
2-azido-5-nitropyridin-1-ium
CID 23279414
acetonitrile;nickel(2+);dinitrate;hexahydrate
CID 175187557

Frequently Asked Questions

What is the IUPAC name of [azido(nitro)amino] cyanate?
The IUPAC name of [azido(nitro)amino] cyanate (CID 151884984) is [azido(nitro)amino] cyanate.
What is the SMILES notation for [azido(nitro)amino] cyanate?
The canonical SMILES for [azido(nitro)amino] cyanate is N#CON(N=[N+]=[N-])[N+](=O)[O-].
What is the InChIKey of [azido(nitro)amino] cyanate?
The InChIKey is SPMYZFWIQMPXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/CN6O3/c2-1-10-6(5-4-3)7(8)9.
What are the key properties of [azido(nitro)amino] cyanate?
[azido(nitro)amino] cyanate has a molecular weight of 144.05 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(nitro)amino] cyanate is sourced from PubChem (CID 151884984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).