2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one

C11H12F3N3O3 — CID 119101616

IUPAC2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CC(OCC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C11H12F3N3O3/c1-16-9(18)3-2-8(15-16)10(19)17-4-7(5-17)20-6-11(12,13)14/h2-3,7H,4-6H2,1H3
InChIKeyHVDCGUMXMDPLNE-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.18
Rot. Bonds3

About 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one (PubChem CID 119101616) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one
PubChem CID119101616
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CC(OCC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C11H12F3N3O3/c1-16-9(18)3-2-8(15-16)10(19)17-4-7(5-17)20-6-11(12,13)14/h2-3,7H,4-6H2,1H3
InChIKeyHVDCGUMXMDPLNE-UHFFFAOYSA-N
XLogP0.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one (CID 119101616) is 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CC(OCC(F)(F)F)C2)ccc1=O.
What is the InChIKey of 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one?
The InChIKey is HVDCGUMXMDPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-16-9(18)3-2-8(15-16)10(19)17-4-7(5-17)20-6-11(12,13)14/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one has a molecular weight of 291.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(2,2,2-trifluoroethoxy)azetidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 119101616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).