Hydron;1-methylimidazole;tetrafluoroborate

C4H7BF4N2 — CID 122361255

IUPAChydron;1-methylimidazole;tetrafluoroborate
SMILES[H+].[B-](F)(F)(F)F.CN1C=CN=C1
InChIInChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyULUZIIYGBKXRGN-UHFFFAOYSA-O
MW169.92 g/mol
LogP—
Rot. Bonds

About Hydron;1-methylimidazole;tetrafluoroborate

Hydron;1-methylimidazole;tetrafluoroborate (PubChem CID 122361255) has the molecular formula C4H7BF4N2 and a molecular weight of 169.92 g/mol. Its IUPAC name is hydron;1-methylimidazole;tetrafluoroborate.

Molecular Properties

Compound NameHydron;1-methylimidazole;tetrafluoroborate
PubChem CID122361255
Molecular FormulaC4H7BF4N2
Molecular Weight169.92 g/mol
Exact Mass170.06
IUPAC Namehydron;1-methylimidazole;tetrafluoroborate
SMILES[H+].[B-](F)(F)(F)F.CN1C=CN=C1
InChIInChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyULUZIIYGBKXRGN-UHFFFAOYSA-O
XLogP—
TPSA17.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity63

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 Hydron;1-methylimidazole;tetrafluoroborate?
The IUPAC name of Hydron;1-methylimidazole;tetrafluoroborate (CID 122361255) is hydron;1-methylimidazole;tetrafluoroborate.
What is the SMILES notation for Hydron;1-methylimidazole;tetrafluoroborate?
The canonical SMILES for Hydron;1-methylimidazole;tetrafluoroborate is [H+].[B-](F)(F)(F)F.CN1C=CN=C1.
What is the InChIKey of Hydron;1-methylimidazole;tetrafluoroborate?
The InChIKey is ULUZIIYGBKXRGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.BF4/c1-6-3-2-5-4-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1.
What are the key properties of Hydron;1-methylimidazole;tetrafluoroborate?
Hydron;1-methylimidazole;tetrafluoroborate has a molecular weight of 169.92 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Hydron;1-methylimidazole;tetrafluoroborate is sourced from PubChem (CID 122361255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).