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

C10H10F3N3O2 — CID 134162343

IUPAC2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(N1CC(Cn2ncccc2=O)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(18)15-4-7(5-15)6-16-8(17)2-1-3-14-16/h1-3,7H,4-6H2
InChIKeyBZRHYTXUDALTED-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.26
Rot. Bonds2

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

2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 134162343) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID134162343
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(N1CC(Cn2ncccc2=O)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9(18)15-4-7(5-15)6-16-8(17)2-1-3-14-16/h1-3,7H,4-6H2
InChIKeyBZRHYTXUDALTED-UHFFFAOYSA-N
XLogP0.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.26
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-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 134162343) is 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one is O=C(N1CC(Cn2ncccc2=O)C1)C(F)(F)F.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is BZRHYTXUDALTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)9(18)15-4-7(5-15)6-16-8(17)2-1-3-14-16/h1-3,7H,4-6H2.
What are the key properties of 2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 261.20 g/mol, XLogP of 0.26, 2 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-trifluoroacetyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 134162343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).