N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine

C16H15F3N4OS — CID 167228165

IUPACN-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCOC4)nn23)s1
InChIInChI=1S/C16H15F3N4OS/c17-16(18,19)13-4-3-12(25-13)11-8-20-15-6-5-14(22-23(11)15)21-10-2-1-7-24-9-10/h3-6,8,10H,1-2,7,9H2,(H,21,22)
InChIKeyKIKVKQUTIZXDEK-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.07
Rot. Bonds3

About N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine

N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 167228165) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID167228165
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC NameN-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCOC4)nn23)s1
InChIInChI=1S/C16H15F3N4OS/c17-16(18,19)13-4-3-12(25-13)11-8-20-15-6-5-14(22-23(11)15)21-10-2-1-7-24-9-10/h3-6,8,10H,1-2,7,9H2,(H,21,22)
InChIKeyKIKVKQUTIZXDEK-UHFFFAOYSA-N
XLogP4.07
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (CID 167228165) is N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCOC4)nn23)s1.
What is the InChIKey of N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KIKVKQUTIZXDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c17-16(18,19)13-4-3-12(25-13)11-8-20-15-6-5-14(22-23(11)15)21-10-2-1-7-24-9-10/h3-6,8,10H,1-2,7,9H2,(H,21,22).
What are the key properties of N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 368.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 167228165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).