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

C17H17F3N4S — CID 167228036

IUPACN-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)s1
InChIInChI=1S/C17H17F3N4S/c18-17(19,20)14-7-6-13(25-14)12-10-21-16-9-8-15(23-24(12)16)22-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,22,23)
InChIKeyLABZZXNDMOFKMQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP5.22
Rot. Bonds3

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

N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 167228036) has the molecular formula C17H17F3N4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID167228036
Molecular FormulaC17H17F3N4S
Molecular Weight366.41 g/mol
Exact Mass366.11
IUPAC NameN-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)s1
InChIInChI=1S/C17H17F3N4S/c18-17(19,20)14-7-6-13(25-14)12-10-21-16-9-8-15(23-24(12)16)22-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,22,23)
InChIKeyLABZZXNDMOFKMQ-UHFFFAOYSA-N
XLogP5.22
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine (CID 167228036) is N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)c1ccc(-c2cnc3ccc(NC4CCCCC4)nn23)s1.
What is the InChIKey of N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is LABZZXNDMOFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4S/c18-17(19,20)14-7-6-13(25-14)12-10-21-16-9-8-15(23-24(12)16)22-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,22,23).
What are the key properties of N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine?
N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 366.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 167228036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).