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

C13H8F4N4 — CID 134360127

IUPACN-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFNc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C13H8F4N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-5-4-11(19-17)20-21(10)12/h1-7H,(H,19,20)
InChIKeyJWNNZXZMDYYVNG-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.71
Rot. Bonds2

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

N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 134360127) has the molecular formula C13H8F4N4 and a molecular weight of 296.23 g/mol. Its IUPAC name is N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID134360127
Molecular FormulaC13H8F4N4
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC NameN-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFNc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C13H8F4N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-5-4-11(19-17)20-21(10)12/h1-7H,(H,19,20)
InChIKeyJWNNZXZMDYYVNG-UHFFFAOYSA-N
XLogP3.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,4R)-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cycloheptan-1-ol
CID 163304070
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178034998
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 168873710
tert-butyl 2-[[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-6-azaspiro[3.4]octane-6-carboxylate
CID 163304089
4-aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride
CID 162086663
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 134360127) is N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is FNc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1.
What is the InChIKey of N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JWNNZXZMDYYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-18-12-5-4-11(19-17)20-21(10)12/h1-7H,(H,19,20).
What are the key properties of N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 296.23 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 134360127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).