[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine

C8H10F3N3O — CID 80507964

IUPAC[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCC(Oc1nnccc1CN)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-6(4-12)2-3-13-14-7/h2-3,5H,4,12H2,1H3
InChIKeyWLNJUYQRLVAFDH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.26
Rot. Bonds3

About [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine

[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (PubChem CID 80507964) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
PubChem CID80507964
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCC(Oc1nnccc1CN)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-6(4-12)2-3-13-14-7/h2-3,5H,4,12H2,1H3
InChIKeyWLNJUYQRLVAFDH-UHFFFAOYSA-N
XLogP1.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine 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 [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine (CID 80507964) is [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is CC(Oc1nnccc1CN)C(F)(F)F.
What is the InChIKey of [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
The InChIKey is WLNJUYQRLVAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(8(9,10)11)15-7-6(4-12)2-3-13-14-7/h2-3,5H,4,12H2,1H3.
What are the key properties of [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine?
[3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine has a molecular weight of 221.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1-trifluoropropan-2-yloxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).