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

C11H14BF3KN3O2 — CID 106746471

IUPACpotassium trifluoro-[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.[K+]
InChIInChI=1S/C11H14BF3N3O2.K/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;+1
InChIKeyLWVGJFFFBYMEBC-UHFFFAOYSA-N
MW327.16 g/mol
LogP-1.97
Rot. Bonds4

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

potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746471) has the molecular formula C11H14BF3KN3O2 and a molecular weight of 327.16 g/mol. Its IUPAC name is potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746471
Molecular FormulaC11H14BF3KN3O2
Molecular Weight327.16 g/mol
Exact Mass327.08
IUPAC Namepotassium trifluoro-[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.[K+]
InChIInChI=1S/C11H14BF3N3O2.K/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;+1
InChIKeyLWVGJFFFBYMEBC-UHFFFAOYSA-N
XLogP-1.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 5-1.97
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
[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-[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 potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide (CID 106746471) is potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium 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.[K+].
What is the InChIKey of potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is LWVGJFFFBYMEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3N3O2.K/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;+1.
What are the key properties of potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 327.16 g/mol, XLogP of -1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).