imino(pyrazol-3-ylidene)azanium tetrafluoroborate

C3H3BF4N4 — CID 88753341

IUPACimino(pyrazol-3-ylidene)azanium tetrafluoroborate
SMILESF[B-](F)(F)F.N=[N+]=C1C=CN=N1
InChIInChI=1S/C3H3N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2,4H;/q+1;-1
InChIKeyAONALUMIHNEBSE-UHFFFAOYSA-N
MW181.89 g/mol
LogP1.90
Rot. Bonds

About imino(pyrazol-3-ylidene)azanium tetrafluoroborate

imino(pyrazol-3-ylidene)azanium tetrafluoroborate (PubChem CID 88753341) has the molecular formula C3H3BF4N4 and a molecular weight of 181.89 g/mol. Its IUPAC name is imino(pyrazol-3-ylidene)azanium tetrafluoroborate.

Molecular Properties

Compound Nameimino(pyrazol-3-ylidene)azanium tetrafluoroborate
PubChem CID88753341
Molecular FormulaC3H3BF4N4
Molecular Weight181.89 g/mol
Exact Mass182.04
IUPAC Nameimino(pyrazol-3-ylidene)azanium tetrafluoroborate
SMILESF[B-](F)(F)F.N=[N+]=C1C=CN=N1
InChIInChI=1S/C3H3N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2,4H;/q+1;-1
InChIKeyAONALUMIHNEBSE-UHFFFAOYSA-N
XLogP1.90
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.89
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino(pyrazol-3-ylidene)azanium tetrafluoroborate?
The IUPAC name of imino(pyrazol-3-ylidene)azanium tetrafluoroborate (CID 88753341) is imino(pyrazol-3-ylidene)azanium tetrafluoroborate.
What is the SMILES notation for imino(pyrazol-3-ylidene)azanium tetrafluoroborate?
The canonical SMILES for imino(pyrazol-3-ylidene)azanium tetrafluoroborate is F[B-](F)(F)F.N=[N+]=C1C=CN=N1.
What is the InChIKey of imino(pyrazol-3-ylidene)azanium tetrafluoroborate?
The InChIKey is AONALUMIHNEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2,4H;/q+1;-1.
What are the key properties of imino(pyrazol-3-ylidene)azanium tetrafluoroborate?
imino(pyrazol-3-ylidene)azanium tetrafluoroborate has a molecular weight of 181.89 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino(pyrazol-3-ylidene)azanium tetrafluoroborate is sourced from PubChem (CID 88753341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).