cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)

C14H34N4O6P2 — CID 158186964

IUPACcyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.N#CP(=O)(O)O.N#CP(=O)([O-])[O-]
InChIInChI=1S/2C6H15N.2CH2NO3P/c2*1-4-7(5-2)6-3;2*2-1-6(3,4)5/h2*4-6H2,1-3H3;2*(H2,3,4,5)
InChIKeyFZGKDICXDTVLKI-UHFFFAOYSA-N
MW416.40 g/mol
LogP-2.11
Rot. Bonds6

About cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)

cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium) (PubChem CID 158186964) has the molecular formula C14H34N4O6P2 and a molecular weight of 416.40 g/mol. Its IUPAC name is cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium).

Molecular Properties

Compound Namecyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
PubChem CID158186964
Molecular FormulaC14H34N4O6P2
Molecular Weight416.40 g/mol
Exact Mass416.20
IUPAC Namecyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.N#CP(=O)(O)O.N#CP(=O)([O-])[O-]
InChIInChI=1S/2C6H15N.2CH2NO3P/c2*1-4-7(5-2)6-3;2*2-1-6(3,4)5/h2*4-6H2,1-3H3;2*(H2,3,4,5)
InChIKeyFZGKDICXDTVLKI-UHFFFAOYSA-N
XLogP-2.11
TPSA177.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)?
The IUPAC name of cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium) (CID 158186964) is cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium).
What is the SMILES notation for cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)?
The canonical SMILES for cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.N#CP(=O)(O)O.N#CP(=O)([O-])[O-].
What is the InChIKey of cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)?
The InChIKey is FZGKDICXDTVLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.2CH2NO3P/c2*1-4-7(5-2)6-3;2*2-1-6(3,4)5/h2*4-6H2,1-3H3;2*(H2,3,4,5).
What are the key properties of cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)?
cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium) has a molecular weight of 416.40 g/mol, XLogP of -2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium) is sourced from PubChem (CID 158186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).