[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine

C7H8F3N3O — CID 171787142

IUPAC[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESNCc1cnnc(OCC(F)(F)F)c1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-14-6-1-5(2-11)3-12-13-6/h1,3H,2,4,11H2
InChIKeyVTZGQPCRRUQVIR-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.88
Rot. Bonds3

About [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine

[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (PubChem CID 171787142) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
PubChem CID171787142
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine
SMILESNCc1cnnc(OCC(F)(F)F)c1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-14-6-1-5(2-11)3-12-13-6/h1,3H,2,4,11H2
InChIKeyVTZGQPCRRUQVIR-UHFFFAOYSA-N
XLogP0.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine (CID 171787142) is [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is NCc1cnnc(OCC(F)(F)F)c1.
What is the InChIKey of [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
The InChIKey is VTZGQPCRRUQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)4-14-6-1-5(2-11)3-12-13-6/h1,3H,2,4,11H2.
What are the key properties of [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine?
[6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine has a molecular weight of 207.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 171787142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).