2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one

C10H12F3N3O — CID 126857254

IUPAC2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-15-4-8(5-15)6-16-9(17)2-1-3-14-16/h1-3,8H,4-7H2
InChIKeyVECKBRWLBNKKMI-UHFFFAOYSA-N
MW247.22 g/mol
LogP0.74
Rot. Bonds3

About 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one

2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126857254) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126857254
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-15-4-8(5-15)6-16-9(17)2-1-3-14-16/h1-3,8H,4-7H2
InChIKeyVECKBRWLBNKKMI-UHFFFAOYSA-N
XLogP0.74
TPSA38.13 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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126857254) is 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CN(CC(F)(F)F)C1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is VECKBRWLBNKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-15-4-8(5-15)6-16-9(17)2-1-3-14-16/h1-3,8H,4-7H2.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 247.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126857254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).