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

C18H19F3N6 — CID 44573866

IUPACN-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C18H19F3N6/c1-26-9-7-14(8-10-26)22-15-5-6-16-23-24-17(27(16)25-15)12-3-2-4-13(11-12)18(19,20)21/h2-6,11,14H,7-10H2,1H3,(H,22,25)
InChIKeyZNXKTMASVDDFHZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.32
Rot. Bonds3

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

N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 44573866) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID44573866
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C18H19F3N6/c1-26-9-7-14(8-10-26)22-15-5-6-16-23-24-17(27(16)25-15)12-3-2-4-13(11-12)18(19,20)21/h2-6,11,14H,7-10H2,1H3,(H,22,25)
InChIKeyZNXKTMASVDDFHZ-UHFFFAOYSA-N
XLogP3.32
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 44573866) is N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZNXKTMASVDDFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-26-9-7-14(8-10-26)22-15-5-6-16-23-24-17(27(16)25-15)12-3-2-4-13(11-12)18(19,20)21/h2-6,11,14H,7-10H2,1H3,(H,22,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 376.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 44573866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).