(cyanatodiazenyl) cyanate

C2N4O2 — CID 175722375

IUPAC(cyanatodiazenyl) cyanate
SMILESN#CON=NOC#N
InChIInChI=1S/C2N4O2/c3-1-7-5-6-8-2-4
InChIKeyAHGKBSLNSAQCGZ-UHFFFAOYSA-N
MW112.05 g/mol
LogP0.26
Rot. Bonds2

About (cyanatodiazenyl) cyanate

(cyanatodiazenyl) cyanate (PubChem CID 175722375) has the molecular formula C2N4O2 and a molecular weight of 112.05 g/mol. Its IUPAC name is (cyanatodiazenyl) cyanate.

Molecular Properties

Compound Name(cyanatodiazenyl) cyanate
PubChem CID175722375
Molecular FormulaC2N4O2
Molecular Weight112.05 g/mol
Exact Mass112.00
IUPAC Name(cyanatodiazenyl) cyanate
SMILESN#CON=NOC#N
InChIInChI=1S/C2N4O2/c3-1-7-5-6-8-2-4
InChIKeyAHGKBSLNSAQCGZ-UHFFFAOYSA-N
XLogP0.26
TPSA90.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phosphanyloxypropanenitrile;rhenium
CID 153394986
[(E)-[amino-(dicyanatoamino)methylidene]amino] cyanate
CID 139776945
sodium;hydride;phosphanyl cyanate
CID 174818007
[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino] cyanate
CID 91872166
tricyanatostannyl cyanate
CID 141124665
sodium;fluoro cyanate;hydride
CID 175390486
barium(2+);bromo cyanate;hydride
CID 174987279
potassium;amino cyanate;hydride
CID 174784610
cyanatosulfanyl cyanate
CID 54444276
azane;cyanatosulfanyl cyanate
CID 88610556
bromo peroxycyanate
CID 162697951
dihydrate;hydrofluoride
CID 71379619

Frequently Asked Questions

What is the IUPAC name of (cyanatodiazenyl) cyanate?
The IUPAC name of (cyanatodiazenyl) cyanate (CID 175722375) is (cyanatodiazenyl) cyanate.
What is the SMILES notation for (cyanatodiazenyl) cyanate?
The canonical SMILES for (cyanatodiazenyl) cyanate is N#CON=NOC#N.
What is the InChIKey of (cyanatodiazenyl) cyanate?
The InChIKey is AHGKBSLNSAQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O2/c3-1-7-5-6-8-2-4.
What are the key properties of (cyanatodiazenyl) cyanate?
(cyanatodiazenyl) cyanate has a molecular weight of 112.05 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (cyanatodiazenyl) cyanate is sourced from PubChem (CID 175722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).