potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide

C6H4BF6KN2O — CID 164645172

IUPACpotassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide
SMILESO=c1cc(C(F)(F)F)cnn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H4BF6N2O.K/c8-6(9,10)4-1-5(16)15(14-2-4)3-7(11,12)13;/h1-2H,3H2;/q-1;+1
InChIKeyJWTBTMQDOZVWDG-UHFFFAOYSA-N
MW284.01 g/mol
LogP-1.35
Rot. Bonds2

About potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide

potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide (PubChem CID 164645172) has the molecular formula C6H4BF6KN2O and a molecular weight of 284.01 g/mol. Its IUPAC name is potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide
PubChem CID164645172
Molecular FormulaC6H4BF6KN2O
Molecular Weight284.01 g/mol
Exact Mass284.00
IUPAC Namepotassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide
SMILESO=c1cc(C(F)(F)F)cnn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C6H4BF6N2O.K/c8-6(9,10)4-1-5(16)15(14-2-4)3-7(11,12)13;/h1-2H,3H2;/q-1;+1
InChIKeyJWTBTMQDOZVWDG-UHFFFAOYSA-N
XLogP-1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.01
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22508455
Trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
CID 106549182
Trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486
Trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide
CID 164645173
Potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
CID 106549181
Potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746485

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide (CID 164645172) is potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide is O=c1cc(C(F)(F)F)cnn1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide?
The InChIKey is JWTBTMQDOZVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF6N2O.K/c8-6(9,10)4-1-5(16)15(14-2-4)3-7(11,12)13;/h1-2H,3H2;/q-1;+1.
What are the key properties of potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide?
potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide has a molecular weight of 284.01 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide is sourced from PubChem (CID 164645172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).