[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide

C11H16BF3N3O2- — CID 114398773

IUPAC[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
SMILESCC1(C)CN(c2cnn(C[B-](F)(F)F)c(=O)c2)CCO1
InChIInChI=1S/C11H16BF3N3O2/c1-11(2)7-17(3-4-20-11)9-5-10(19)18(16-6-9)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3/q-1
InChIKeyWXMYXBSFUBILMD-UHFFFAOYSA-N
MW290.07 g/mol
LogP1.25
Rot. Bonds3

About [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide

[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide (PubChem CID 114398773) has the molecular formula C11H16BF3N3O2- and a molecular weight of 290.07 g/mol. Its IUPAC name is [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
PubChem CID114398773
Molecular FormulaC11H16BF3N3O2-
Molecular Weight290.07 g/mol
Exact Mass290.13
IUPAC Name[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
SMILESCC1(C)CN(c2cnn(C[B-](F)(F)F)c(=O)c2)CCO1
InChIInChI=1S/C11H16BF3N3O2/c1-11(2)7-17(3-4-20-11)9-5-10(19)18(16-6-9)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3/q-1
InChIKeyWXMYXBSFUBILMD-UHFFFAOYSA-N
XLogP1.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
Trifluoro-[3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746476
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
Trifluoro-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398760
Trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398776
2-[2-(Aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103073097
2-[2-(2-Aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103482437
5-(2,2-dimethylmorpholin-4-yl)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920978
5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920979
Potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746471

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide (CID 114398773) is [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide is CC1(C)CN(c2cnn(C[B-](F)(F)F)c(=O)c2)CCO1.
What is the InChIKey of [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
The InChIKey is WXMYXBSFUBILMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BF3N3O2/c1-11(2)7-17(3-4-20-11)9-5-10(19)18(16-6-9)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3/q-1.
What are the key properties of [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide?
[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide has a molecular weight of 290.07 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 114398773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).