azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate

C6H16BF4N3 — CID 174106655

IUPACazanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
SMILESCCN1C=CN(C)C1.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C6H12N2.BF4.H3N/c1-3-8-5-4-7(2)6-8;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;;1H3/q;-1;/p+1
InChIKeyANMXGAHRSUHEPZ-UHFFFAOYSA-O
MW217.02 g/mol
LogP2.36
Rot. Bonds1

About azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate

azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate (PubChem CID 174106655) has the molecular formula C6H16BF4N3 and a molecular weight of 217.02 g/mol. Its IUPAC name is azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate.

Molecular Properties

Compound Nameazanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
PubChem CID174106655
Molecular FormulaC6H16BF4N3
Molecular Weight217.02 g/mol
Exact Mass217.14
IUPAC Nameazanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
SMILESCCN1C=CN(C)C1.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C6H12N2.BF4.H3N/c1-3-8-5-4-7(2)6-8;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;;1H3/q;-1;/p+1
InChIKeyANMXGAHRSUHEPZ-UHFFFAOYSA-O
XLogP2.36
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate?
The IUPAC name of azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate (CID 174106655) is azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate.
What is the SMILES notation for azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate?
The canonical SMILES for azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate is CCN1C=CN(C)C1.F[B-](F)(F)F.[NH4+].
What is the InChIKey of azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate?
The InChIKey is ANMXGAHRSUHEPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2.BF4.H3N/c1-3-8-5-4-7(2)6-8;2-1(3,4)5;/h4-5H,3,6H2,1-2H3;;1H3/q;-1;/p+1.
What are the key properties of azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate?
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate has a molecular weight of 217.02 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate is sourced from PubChem (CID 174106655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).