3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine

C10H12F3N3O — CID 154582930

IUPAC3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CN(CC(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)17-8-4-16(5-8)6-10(11,12)13/h2-3,8H,4-6H2,1H3
InChIKeyYMXVBQNKLZHAGR-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine

3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine (PubChem CID 154582930) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine
PubChem CID154582930
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CN(CC(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)17-8-4-16(5-8)6-10(11,12)13/h2-3,8H,4-6H2,1H3
InChIKeyYMXVBQNKLZHAGR-UHFFFAOYSA-N
XLogP1.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylazetidin-3-yl)oxy-6-methylpyridazine
CID 134505968
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957
5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 75484484
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
CID 71638804
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine (CID 154582930) is 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine is Cc1ccc(OC2CN(CC(F)(F)F)C2)nn1.
What is the InChIKey of 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine?
The InChIKey is YMXVBQNKLZHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)17-8-4-16(5-8)6-10(11,12)13/h2-3,8H,4-6H2,1H3.
What are the key properties of 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine?
3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine has a molecular weight of 247.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxypyridazine is sourced from PubChem (CID 154582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).