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

C10H14F3N3O3 — CID 103222873

IUPAC5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNCCOc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)7-18-4-2-16-9(17)5-8(6-15-16)19-3-1-14/h5-6H,1-4,7,14H2
InChIKeyDNTHDVMMTZDAMF-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.16
Rot. Bonds7

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

5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103222873) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103222873
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNCCOc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)7-18-4-2-16-9(17)5-8(6-15-16)19-3-1-14/h5-6H,1-4,7,14H2
InChIKeyDNTHDVMMTZDAMF-UHFFFAOYSA-N
XLogP0.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.16
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103222873) is 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is NCCOc1cnn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is DNTHDVMMTZDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)7-18-4-2-16-9(17)5-8(6-15-16)19-3-1-14/h5-6H,1-4,7,14H2.
What are the key properties of 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 281.23 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103222873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).