4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one

C8H10F3N3O2 — CID 114392210

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCCOCC(F)(F)F)cn[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-12-6-3-7(15)14-13-4-6/h3-4H,1-2,5H2,(H2,12,14,15)
InChIKeyWRWRFYASMQXHJV-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.76
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one

4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one (PubChem CID 114392210) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one
PubChem CID114392210
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one
SMILESO=c1cc(NCCOCC(F)(F)F)cn[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-12-6-3-7(15)14-13-4-6/h3-4H,1-2,5H2,(H2,12,14,15)
InChIKeyWRWRFYASMQXHJV-UHFFFAOYSA-N
XLogP0.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one (CID 114392210) is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one is O=c1cc(NCCOCC(F)(F)F)cn[nH]1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The InChIKey is WRWRFYASMQXHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-12-6-3-7(15)14-13-4-6/h3-4H,1-2,5H2,(H2,12,14,15).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one?
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one has a molecular weight of 237.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).