hydron;1-methylimidazole;tetrafluoroborate

C4H7BF4N2 — CID 122361255

IUPAChydron;1-methylimidazole;tetrafluoroborate
SMILESCn1ccnc1.F[B-](F)(F)F.[H+]
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
LogP1.83
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
SMILESCn1ccnc1.F[B-](F)(F)F.[H+]
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
XLogP1.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10270176
CID 173148040
CID 173148040
ethene;1-methylimidazole
CID 70468306
barium(2+);ethane;1-methylimidazole;difluoride
CID 144994303
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CID 67999343
1-methylimidazole;tetrachlorotitanium
CID 174841078
ethane;1-methylimidazole;N-methylmethanamine
CID 142299276
dichloromercury;bis(1-methylimidazole)
CID 67805046
copper;bis(1-methylimidazole);dinitrite
CID 139083429
1-methylimidazole;propane-1-sulfonic acid;tetrafluoroborate
CID 174991488

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 Cn1ccnc1.F[B-](F)(F)F.[H+].
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 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 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).