2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

C13H9F3N4 — CID 154511923

IUPAC2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)nc2cccnn12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-5-3-8(4-6-9)11-12(17)20-10(19-11)2-1-7-18-20/h1-7H,17H2
InChIKeyXUIPIHRGUXIPKD-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.00
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (PubChem CID 154511923) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
PubChem CID154511923
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)nc2cccnn12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-5-3-8(4-6-9)11-12(17)20-10(19-11)2-1-7-18-20/h1-7H,17H2
InChIKeyXUIPIHRGUXIPKD-UHFFFAOYSA-N
XLogP3.00
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 176715171
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
CID 62483401
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82356180
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375
3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 91442502
7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
CID 62481357
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142599993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (CID 154511923) is 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is Nc1c(-c2ccc(C(F)(F)F)cc2)nc2cccnn12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is XUIPIHRGUXIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)9-5-3-8(4-6-9)11-12(17)20-10(19-11)2-1-7-18-20/h1-7H,17H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 278.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 154511923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).