potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide

C5H5BF3KN2O — CID 63703090

IUPACpotassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
SMILESO=c1cccnn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C5H5BF3N2O.K/c7-6(8,9)4-11-5(12)2-1-3-10-11;/h1-3H,4H2;/q-1;+1
InChIKeyFZGOAWNYMHGCQU-UHFFFAOYSA-N
MW216.01 g/mol
LogP-2.37
Rot. Bonds2

About potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide

potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide (PubChem CID 63703090) has the molecular formula C5H5BF3KN2O and a molecular weight of 216.01 g/mol. Its IUPAC name is potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
PubChem CID63703090
Molecular FormulaC5H5BF3KN2O
Molecular Weight216.01 g/mol
Exact Mass216.01
IUPAC Namepotassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
SMILESO=c1cccnn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C5H5BF3N2O.K/c7-6(8,9)4-11-5(12)2-1-3-10-11;/h1-3H,4H2;/q-1;+1
InChIKeyFZGOAWNYMHGCQU-UHFFFAOYSA-N
XLogP-2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide (CID 63703090) is potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide is O=c1cccnn1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide?
The InChIKey is FZGOAWNYMHGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BF3N2O.K/c7-6(8,9)4-11-5(12)2-1-3-10-11;/h1-3H,4H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide?
potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide has a molecular weight of 216.01 g/mol, XLogP of -2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide is sourced from PubChem (CID 63703090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).