potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide

C6H7BF3KN2O — CID 106549181

IUPACpotassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCc1cnn(C[B-](F)(F)F)c(=O)c1.[K+]
InChIInChI=1S/C6H7BF3N2O.K/c1-5-2-6(13)12(11-3-5)4-7(8,9)10;/h2-3H,4H2,1H3;/q-1;+1
InChIKeyKCLLGOPLTPJDLC-UHFFFAOYSA-N
MW230.04 g/mol
LogP-2.06
Rot. Bonds2

About potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide

potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide (PubChem CID 106549181) has the molecular formula C6H7BF3KN2O and a molecular weight of 230.04 g/mol. Its IUPAC name is potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
PubChem CID106549181
Molecular FormulaC6H7BF3KN2O
Molecular Weight230.04 g/mol
Exact Mass230.02
IUPAC Namepotassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCc1cnn(C[B-](F)(F)F)c(=O)c1.[K+]
InChIInChI=1S/C6H7BF3N2O.K/c1-5-2-6(13)12(11-3-5)4-7(8,9)10;/h2-3H,4H2,1H3;/q-1;+1
InChIKeyKCLLGOPLTPJDLC-UHFFFAOYSA-N
XLogP-2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 5-2.06
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

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-Methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22508455
Trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
CID 63703091
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
Potassium trifluoro({[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]methyl})boranuide
CID 164645172
Trifluoro-[[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]methyl]boranuide
CID 164645173
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
CID 177030650
CID 177030650
Potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
CID 63703090
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-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide (CID 106549181) is potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide is Cc1cnn(C[B-](F)(F)F)c(=O)c1.[K+].
What is the InChIKey of potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The InChIKey is KCLLGOPLTPJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3N2O.K/c1-5-2-6(13)12(11-3-5)4-7(8,9)10;/h2-3H,4H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide has a molecular weight of 230.04 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide is sourced from PubChem (CID 106549181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).