5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

C9H12F3N3O — CID 106549765

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCOCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-4-8(15-14-5-7)13-2-3-16-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,15)
InChIKeyVVAIEMFXKIPIFJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.78
Rot. Bonds5

About 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (PubChem CID 106549765) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
PubChem CID106549765
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCOCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-4-8(15-14-5-7)13-2-3-16-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,15)
InChIKeyVVAIEMFXKIPIFJ-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (CID 106549765) is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is Cc1cnnc(NCCOCC(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The InChIKey is VVAIEMFXKIPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-4-8(15-14-5-7)13-2-3-16-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine has a molecular weight of 235.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is sourced from PubChem (CID 106549765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).