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

C9H12BF3N3O2- — CID 114398753

IUPACtrifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESO=c1cc(N2CCOCC2)cnn1C[B-](F)(F)F
InChIInChI=1S/C9H12BF3N3O2/c11-10(12,13)7-16-9(17)5-8(6-14-16)15-1-3-18-4-2-15/h5-6H,1-4,7H2/q-1
InChIKeyZARKEOKJQYIIQT-UHFFFAOYSA-N
MW262.02 g/mol
LogP0.47
Rot. Bonds3

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

trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide (PubChem CID 114398753) has the molecular formula C9H12BF3N3O2- and a molecular weight of 262.02 g/mol. Its IUPAC name is trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
PubChem CID114398753
Molecular FormulaC9H12BF3N3O2-
Molecular Weight262.02 g/mol
Exact Mass262.10
IUPAC Nametrifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
SMILESO=c1cc(N2CCOCC2)cnn1C[B-](F)(F)F
InChIInChI=1S/C9H12BF3N3O2/c11-10(12,13)7-16-9(17)5-8(6-14-16)15-1-3-18-4-2-15/h5-6H,1-4,7H2/q-1
InChIKeyZARKEOKJQYIIQT-UHFFFAOYSA-N
XLogP0.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 50.47
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-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398760
[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
CID 114398773
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
Potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746471
Potassium trifluoro-[3-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 106746475
2-(2-Bromoethyl)-5-morpholin-4-ylpyridazin-3-one
CID 114394260

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide (CID 114398753) is trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide is O=c1cc(N2CCOCC2)cnn1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide?
The InChIKey is ZARKEOKJQYIIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BF3N3O2/c11-10(12,13)7-16-9(17)5-8(6-14-16)15-1-3-18-4-2-15/h5-6H,1-4,7H2/q-1.
What are the key properties of trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide?
trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide has a molecular weight of 262.02 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide is sourced from PubChem (CID 114398753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).