N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H16F3N5O — CID 44573834

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-11(10-12)16-23-22-15-5-4-14(24-25(15)16)21-13-6-8-26-9-7-13/h1-5,10,13H,6-9H2,(H,21,24)
InChIKeyHSZVLQWFCDYLBY-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.40
Rot. Bonds3

About N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 44573834) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID44573834
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-11(10-12)16-23-22-15-5-4-14(24-25(15)16)21-13-6-8-26-9-7-13/h1-5,10,13H,6-9H2,(H,21,24)
InChIKeyHSZVLQWFCDYLBY-UHFFFAOYSA-N
XLogP3.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-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 N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 44573834) is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCOCC4)nn23)c1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HSZVLQWFCDYLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-11(10-12)16-23-22-15-5-4-14(24-25(15)16)21-13-6-8-26-9-7-13/h1-5,10,13H,6-9H2,(H,21,24).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 363.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 44573834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).