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

C6H7BF3N2O- — CID 106549182

IUPACtrifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCc1cnn(C[B-](F)(F)F)c(=O)c1
InChIInChI=1S/C6H7BF3N2O/c1-5-2-6(13)12(11-3-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1
InChIKeyCVIWUSIKOWPNGO-UHFFFAOYSA-N
MW190.94 g/mol
LogP0.94
Rot. Bonds2

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

trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide (PubChem CID 106549182) has the molecular formula C6H7BF3N2O- and a molecular weight of 190.94 g/mol. Its IUPAC name is trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
PubChem CID106549182
Molecular FormulaC6H7BF3N2O-
Molecular Weight190.94 g/mol
Exact Mass191.06
IUPAC Nametrifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESCc1cnn(C[B-](F)(F)F)c(=O)c1
InChIInChI=1S/C6H7BF3N2O/c1-5-2-6(13)12(11-3-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1
InChIKeyCVIWUSIKOWPNGO-UHFFFAOYSA-N
XLogP0.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.94
LogP ≤ 50.94
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-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
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-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
CID 177030650
CID 177030650
Potassium trifluoro-[(6-oxopyridazin-1-yl)methyl]boranuide
CID 63703090
Potassium trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide
CID 106549181

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide (CID 106549182) is trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide is Cc1cnn(C[B-](F)(F)F)c(=O)c1.
What is the InChIKey of trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
The InChIKey is CVIWUSIKOWPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BF3N2O/c1-5-2-6(13)12(11-3-5)4-7(8,9)10/h2-3H,4H2,1H3/q-1.
What are the key properties of trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide?
trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide has a molecular weight of 190.94 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-methyl-6-oxopyridazin-1-yl)methyl]boranuide is sourced from PubChem (CID 106549182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).