5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C12H10F3N5O3 — CID 171368859

IUPAC5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(OCC(F)(F)F)c3nccn3n2)C(=O)N1
InChIInChI=1S/C12H10F3N5O3/c13-12(14,15)5-23-8-3-7(19-20-2-1-16-9(8)20)6-4-17-11(22)18-10(6)21/h1-3,6H,4-5H2,(H2,17,18,21,22)
InChIKeyXQIKOSGHASZGBK-UHFFFAOYSA-N
MW329.24 g/mol
LogP0.59
Rot. Bonds3

About 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368859) has the molecular formula C12H10F3N5O3 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368859
Molecular FormulaC12H10F3N5O3
Molecular Weight329.24 g/mol
Exact Mass329.07
IUPAC Name5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(OCC(F)(F)F)c3nccn3n2)C(=O)N1
InChIInChI=1S/C12H10F3N5O3/c13-12(14,15)5-23-8-3-7(19-20-2-1-16-9(8)20)6-4-17-11(22)18-10(6)21/h1-3,6H,4-5H2,(H2,17,18,21,22)
InChIKeyXQIKOSGHASZGBK-UHFFFAOYSA-N
XLogP0.59
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368862
5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368875
[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate
CID 171368478
5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368626
5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171362427
5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione
CID 171362434
5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368319
5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368321
5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368706
5-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368601
5-[8-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368442
5-[8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368368

Frequently Asked Questions

What is the IUPAC name of 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368859) is 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(OCC(F)(F)F)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is XQIKOSGHASZGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O3/c13-12(14,15)5-23-8-3-7(19-20-2-1-16-9(8)20)6-4-17-11(22)18-10(6)21/h1-3,6H,4-5H2,(H2,17,18,21,22).
What are the key properties of 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 329.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).