N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine

C11H17F3N4O — CID 103952486

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(C)CCOCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4O/c1-18(2)6-8-19-7-5-15-10-4-3-9(16-17-10)11(12,13)14/h3-4H,5-8H2,1-2H3,(H,15,17)
InChIKeyFTXPPOYGFWINAV-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103952486) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103952486
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(C)CCOCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H17F3N4O/c1-18(2)6-8-19-7-5-15-10-4-3-9(16-17-10)11(12,13)14/h3-4H,5-8H2,1-2H3,(H,15,17)
InChIKeyFTXPPOYGFWINAV-UHFFFAOYSA-N
XLogP1.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 103952486) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine is CN(C)CCOCCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is FTXPPOYGFWINAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-18(2)6-8-19-7-5-15-10-4-3-9(16-17-10)11(12,13)14/h3-4H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 278.28 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103952486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).