N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C16H15F3N4O — CID 57391268

IUPACN-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C16H15F3N4O/c1-2-8-20-14-6-7-15-21-10-13(23(15)22-14)11-4-3-5-12(9-11)24-16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,22)
InChIKeyIDPCKTWXIMZSMZ-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.12
Rot. Bonds5

About N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 57391268) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID57391268
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C16H15F3N4O/c1-2-8-20-14-6-7-15-21-10-13(23(15)22-14)11-4-3-5-12(9-11)24-16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,22)
InChIKeyIDPCKTWXIMZSMZ-UHFFFAOYSA-N
XLogP4.12
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-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-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 57391268) is N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CCCNc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.
What is the InChIKey of N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IDPCKTWXIMZSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-2-8-20-14-6-7-15-21-10-13(23(15)22-14)11-4-3-5-12(9-11)24-16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,22).
What are the key properties of N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 336.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 57391268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).