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

C18H17F3N4O — CID 167228039

IUPACN-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2cnc3ccc(NC4CCCOC4)nn23)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)13-4-1-3-12(9-13)15-10-22-17-7-6-16(24-25(15)17)23-14-5-2-8-26-11-14/h1,3-4,6-7,9-10,14H,2,5,8,11H2,(H,23,24)
InChIKeyIMRZVLUDFQQOTC-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.01
Rot. Bonds3

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

N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 167228039) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID167228039
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2cnc3ccc(NC4CCCOC4)nn23)c1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)13-4-1-3-12(9-13)15-10-22-17-7-6-16(24-25(15)17)23-14-5-2-8-26-11-14/h1,3-4,6-7,9-10,14H,2,5,8,11H2,(H,23,24)
InChIKeyIMRZVLUDFQQOTC-UHFFFAOYSA-N
XLogP4.01
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
CID 140905496
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-methyl-N-[(3S)-oxan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95244110
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178034998

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 167228039) is N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)c1cccc(-c2cnc3ccc(NC4CCCOC4)nn23)c1.
What is the InChIKey of N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IMRZVLUDFQQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)13-4-1-3-12(9-13)15-10-22-17-7-6-16(24-25(15)17)23-14-5-2-8-26-11-14/h1,3-4,6-7,9-10,14H,2,5,8,11H2,(H,23,24).
What are the key properties of N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 362.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 167228039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).