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

C11H14BF3N3O2- — CID 106746472

IUPACtrifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ncc(N2CCOCC2)cc1=O)[B-](F)(F)F
InChIInChI=1S/C11H14BF3N3O2/c1-9(12(13,14)15)8-18-11(19)6-10(7-16-18)17-2-4-20-5-3-17/h6-7H,1-5,8H2/q-1
InChIKeyIHNWVXDEQFACNQ-UHFFFAOYSA-N
MW288.06 g/mol
LogP1.02
Rot. Bonds4

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

trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746472) has the molecular formula C11H14BF3N3O2- and a molecular weight of 288.06 g/mol. Its IUPAC name is trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746472
Molecular FormulaC11H14BF3N3O2-
Molecular Weight288.06 g/mol
Exact Mass288.11
IUPAC Nametrifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ncc(N2CCOCC2)cc1=O)[B-](F)(F)F
InChIInChI=1S/C11H14BF3N3O2/c1-9(12(13,14)15)8-18-11(19)6-10(7-16-18)17-2-4-20-5-3-17/h6-7H,1-5,8H2/q-1
InChIKeyIHNWVXDEQFACNQ-UHFFFAOYSA-N
XLogP1.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 51.02
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

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
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-[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
[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
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (CID 106746472) is trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is C=C(Cn1ncc(N2CCOCC2)cc1=O)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is IHNWVXDEQFACNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3N3O2/c1-9(12(13,14)15)8-18-11(19)6-10(7-16-18)17-2-4-20-5-3-17/h6-7H,1-5,8H2/q-1.
What are the key properties of trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 288.06 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).