[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide

C7H10BF3N3O- — CID 114398751

IUPAC[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)c1cnn(C[B-](F)(F)F)c(=O)c1
InChIInChI=1S/C7H10BF3N3O/c1-13(2)6-3-7(15)14(12-4-6)5-8(9,10)11/h3-4H,5H2,1-2H3/q-1
InChIKeyVGWBVEHBQFGDGW-UHFFFAOYSA-N
MW219.98 g/mol
LogP0.70
Rot. Bonds3

About [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide

[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide (PubChem CID 114398751) has the molecular formula C7H10BF3N3O- and a molecular weight of 219.98 g/mol. Its IUPAC name is [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
PubChem CID114398751
Molecular FormulaC7H10BF3N3O-
Molecular Weight219.98 g/mol
Exact Mass220.09
IUPAC Name[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)c1cnn(C[B-](F)(F)F)c(=O)c1
InChIInChI=1S/C7H10BF3N3O/c1-13(2)6-3-7(15)14(12-4-6)5-8(9,10)11/h3-4H,5H2,1-2H3/q-1
InChIKeyVGWBVEHBQFGDGW-UHFFFAOYSA-N
XLogP0.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.98
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
3-[4-(Dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746470
3-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746478
3-[4-(Diethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746480
Trifluoro-[3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746482
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
Trifluoro-[[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398758
Trifluoro-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398760
[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
CID 114398763
[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
CID 114398765
Trifluoro-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398771
5-(Dimethylamino)-2-methylpyridazin-3-one
CID 13103627

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide (CID 114398751) is [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide is CN(C)c1cnn(C[B-](F)(F)F)c(=O)c1.
What is the InChIKey of [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The InChIKey is VGWBVEHBQFGDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BF3N3O/c1-13(2)6-3-7(15)14(12-4-6)5-8(9,10)11/h3-4H,5H2,1-2H3/q-1.
What are the key properties of [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide has a molecular weight of 219.98 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 114398751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).