dioxidoboranylformonitrile;bis(trimethylazanium)

C7H20BN3O2 — CID 139949980

IUPACdioxidoboranylformonitrile;bis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.N#CB([O-])[O-]
InChIInChI=1S/2C3H9N.CBNO2/c2*1-4(2)3;3-1-2(4)5/h2*1-3H3;/q;;-2/p+2
InChIKeyHIRDSHLCDBMFJF-UHFFFAOYSA-P
MW189.07 g/mol
LogP-5.22
Rot. Bonds

About dioxidoboranylformonitrile;bis(trimethylazanium)

dioxidoboranylformonitrile;bis(trimethylazanium) (PubChem CID 139949980) has the molecular formula C7H20BN3O2 and a molecular weight of 189.07 g/mol. Its IUPAC name is dioxidoboranylformonitrile;bis(trimethylazanium).

Molecular Properties

Compound Namedioxidoboranylformonitrile;bis(trimethylazanium)
PubChem CID139949980
Molecular FormulaC7H20BN3O2
Molecular Weight189.07 g/mol
Exact Mass189.16
IUPAC Namedioxidoboranylformonitrile;bis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.N#CB([O-])[O-]
InChIInChI=1S/2C3H9N.CBNO2/c2*1-4(2)3;3-1-2(4)5/h2*1-3H3;/q;;-2/p+2
InChIKeyHIRDSHLCDBMFJF-UHFFFAOYSA-P
XLogP-5.22
TPSA78.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 5-5.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxidoboranylformonitrile;bis(trimethylazanium)?
The IUPAC name of dioxidoboranylformonitrile;bis(trimethylazanium) (CID 139949980) is dioxidoboranylformonitrile;bis(trimethylazanium).
What is the SMILES notation for dioxidoboranylformonitrile;bis(trimethylazanium)?
The canonical SMILES for dioxidoboranylformonitrile;bis(trimethylazanium) is C[NH+](C)C.C[NH+](C)C.N#CB([O-])[O-].
What is the InChIKey of dioxidoboranylformonitrile;bis(trimethylazanium)?
The InChIKey is HIRDSHLCDBMFJF-UHFFFAOYSA-P. The full InChI is InChI=1S/2C3H9N.CBNO2/c2*1-4(2)3;3-1-2(4)5/h2*1-3H3;/q;;-2/p+2.
What are the key properties of dioxidoboranylformonitrile;bis(trimethylazanium)?
dioxidoboranylformonitrile;bis(trimethylazanium) has a molecular weight of 189.07 g/mol, XLogP of -5.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidoboranylformonitrile;bis(trimethylazanium) is sourced from PubChem (CID 139949980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).