potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide

C8H9BF3KN2O — CID 106746485

IUPACpotassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ncc(C)cc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H9BF3N2O.K/c1-6-3-8(15)14(13-4-6)5-7(2)9(10,11)12;/h3-4H,2,5H2,1H3;/q-1;+1
InChIKeyGEHKBGCFPVDLTM-UHFFFAOYSA-N
MW256.08 g/mol
LogP-1.50
Rot. Bonds3

About potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746485) has the molecular formula C8H9BF3KN2O and a molecular weight of 256.08 g/mol. Its IUPAC name is potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746485
Molecular FormulaC8H9BF3KN2O
Molecular Weight256.08 g/mol
Exact Mass256.04
IUPAC Namepotassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ncc(C)cc1=O)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H9BF3N2O.K/c1-6-3-8(15)14(13-4-6)5-7(2)9(10,11)12;/h3-4H,2,5H2,1H3;/q-1;+1
InChIKeyGEHKBGCFPVDLTM-UHFFFAOYSA-N
XLogP-1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 5-1.50
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

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
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
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
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one;ethane
CID 169135440

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (CID 106746485) is potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is C=C(Cn1ncc(C)cc1=O)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is GEHKBGCFPVDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BF3N2O.K/c1-6-3-8(15)14(13-4-6)5-7(2)9(10,11)12;/h3-4H,2,5H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 256.08 g/mol, XLogP of -1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).