trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide

C11H16BF3N3O- — CID 114398778

IUPACtrifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
SMILESCC1CCCN(c2cnn(C[B-](F)(F)F)c(=O)c2)C1
InChIInChI=1S/C11H16BF3N3O/c1-9-3-2-4-17(7-9)10-5-11(19)18(16-6-10)8-12(13,14)15/h5-6,9H,2-4,7-8H2,1H3/q-1
InChIKeyXQHNJQRMSWLNRX-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.87
Rot. Bonds3

About trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide

trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide (PubChem CID 114398778) has the molecular formula C11H16BF3N3O- and a molecular weight of 274.07 g/mol. Its IUPAC name is trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
PubChem CID114398778
Molecular FormulaC11H16BF3N3O-
Molecular Weight274.07 g/mol
Exact Mass274.13
IUPAC Nametrifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
SMILESCC1CCCN(c2cnn(C[B-](F)(F)F)c(=O)c2)C1
InChIInChI=1S/C11H16BF3N3O/c1-9-3-2-4-17(7-9)10-5-11(19)18(16-6-10)8-12(13,14)15/h5-6,9H,2-4,7-8H2,1H3/q-1
InChIKeyXQHNJQRMSWLNRX-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.87
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

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
Trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746474
Trifluoro-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398756
Trifluoro-[[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398769
Trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398776
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626
Potassium trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746473
2-(4-Bromobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 113579415
3-[4-(3-Methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanenitrile
CID 113579537
2-But-3-ynyl-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 113579628
4-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
CID 114393015
2-(4-Aminobutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114393793

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide (CID 114398778) is trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide is CC1CCCN(c2cnn(C[B-](F)(F)F)c(=O)c2)C1.
What is the InChIKey of trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide?
The InChIKey is XQHNJQRMSWLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BF3N3O/c1-9-3-2-4-17(7-9)10-5-11(19)18(16-6-10)8-12(13,14)15/h5-6,9H,2-4,7-8H2,1H3/q-1.
What are the key properties of trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide?
trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide has a molecular weight of 274.07 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide is sourced from PubChem (CID 114398778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).