dicyanocyanamide

C3N4 — CID 14849309

IUPACdicyanocyanamide
SMILESN#CN(C#N)C#N
InChIInChI=1S/C3N4/c4-1-7(2-5)3-6
InChIKeyZXNYKOAICSPUKI-UHFFFAOYSA-N
MW92.06 g/mol
LogP-0.27
Rot. Bonds

About dicyanocyanamide

dicyanocyanamide (PubChem CID 14849309) has the molecular formula C3N4 and a molecular weight of 92.06 g/mol. Its IUPAC name is dicyanocyanamide.

Molecular Properties

Compound Namedicyanocyanamide
PubChem CID14849309
Molecular FormulaC3N4
Molecular Weight92.06 g/mol
Exact Mass92.01
IUPAC Namedicyanocyanamide
SMILESN#CN(C#N)C#N
InChIInChI=1S/C3N4/c4-1-7(2-5)3-6
InChIKeyZXNYKOAICSPUKI-UHFFFAOYSA-N
XLogP-0.27
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.06
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyanocyanamide?
The IUPAC name of dicyanocyanamide (CID 14849309) is dicyanocyanamide.
What is the SMILES notation for dicyanocyanamide?
The canonical SMILES for dicyanocyanamide is N#CN(C#N)C#N.
What is the InChIKey of dicyanocyanamide?
The InChIKey is ZXNYKOAICSPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3N4/c4-1-7(2-5)3-6.
What are the key properties of dicyanocyanamide?
dicyanocyanamide has a molecular weight of 92.06 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyanocyanamide is sourced from PubChem (CID 14849309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).