tetracyanoboranuide;tetraethylazanium

C12H20BN5 — CID 87321853

IUPACtetracyanoboranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C8H20N.C4BN4/c1-5-9(6-2,7-3)8-4;6-1-5(2-7,3-8)4-9/h5-8H2,1-4H3;/q+1;-1
InChIKeyOOIQBKWHYPEMRK-UHFFFAOYSA-N
MW245.14 g/mol
LogP1.57
Rot. Bonds4

About tetracyanoboranuide;tetraethylazanium

tetracyanoboranuide;tetraethylazanium (PubChem CID 87321853) has the molecular formula C12H20BN5 and a molecular weight of 245.14 g/mol. Its IUPAC name is tetracyanoboranuide;tetraethylazanium.

Molecular Properties

Compound Nametetracyanoboranuide;tetraethylazanium
PubChem CID87321853
Molecular FormulaC12H20BN5
Molecular Weight245.14 g/mol
Exact Mass245.18
IUPAC Nametetracyanoboranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C8H20N.C4BN4/c1-5-9(6-2,7-3)8-4;6-1-5(2-7,3-8)4-9/h5-8H2,1-4H3;/q+1;-1
InChIKeyOOIQBKWHYPEMRK-UHFFFAOYSA-N
XLogP1.57
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyanoboranuide;tetraethylazanium?
The IUPAC name of tetracyanoboranuide;tetraethylazanium (CID 87321853) is tetracyanoboranuide;tetraethylazanium.
What is the SMILES notation for tetracyanoboranuide;tetraethylazanium?
The canonical SMILES for tetracyanoboranuide;tetraethylazanium is CC[N+](CC)(CC)CC.N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of tetracyanoboranuide;tetraethylazanium?
The InChIKey is OOIQBKWHYPEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C4BN4/c1-5-9(6-2,7-3)8-4;6-1-5(2-7,3-8)4-9/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of tetracyanoboranuide;tetraethylazanium?
tetracyanoboranuide;tetraethylazanium has a molecular weight of 245.14 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyanoboranuide;tetraethylazanium is sourced from PubChem (CID 87321853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).