5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one

C11H16F3N3O3 — CID 103222856

IUPAC5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESNCCOc1cnn(CCCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)8-19-4-1-3-17-10(18)6-9(7-16-17)20-5-2-15/h6-7H,1-5,8,15H2
InChIKeyNCFDMZOHVUUXEZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.55
Rot. Bonds8

About 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (PubChem CID 103222856) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
PubChem CID103222856
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESNCCOc1cnn(CCCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C11H16F3N3O3/c12-11(13,14)8-19-4-1-3-17-10(18)6-9(7-16-17)20-5-2-15/h6-7H,1-5,8,15H2
InChIKeyNCFDMZOHVUUXEZ-UHFFFAOYSA-N
XLogP0.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (CID 103222856) is 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is NCCOc1cnn(CCCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The InChIKey is NCFDMZOHVUUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c12-11(13,14)8-19-4-1-3-17-10(18)6-9(7-16-17)20-5-2-15/h6-7H,1-5,8,15H2.
What are the key properties of 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one has a molecular weight of 295.26 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is sourced from PubChem (CID 103222856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).