2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride

C17H18ClF3N4O — CID 175954154

IUPAC2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride
SMILESCC(C)c1cn2nccc(NCc3ccccc3OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C17H17F3N4O.ClH/c1-11(2)14-10-24-16(23-14)13(7-8-22-24)21-9-12-5-3-4-6-15(12)25-17(18,19)20;/h3-8,10-11,21H,9H2,1-2H3;1H
InChIKeyLGWKPMIQZRQWOZ-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.79
Rot. Bonds5

About 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride

2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride (PubChem CID 175954154) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride
PubChem CID175954154
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC Name2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride
SMILESCC(C)c1cn2nccc(NCc3ccccc3OC(F)(F)F)c2n1.Cl
InChIInChI=1S/C17H17F3N4O.ClH/c1-11(2)14-10-24-16(23-14)13(7-8-22-24)21-9-12-5-3-4-6-15(12)25-17(18,19)20;/h3-8,10-11,21H,9H2,1-2H3;1H
InChIKeyLGWKPMIQZRQWOZ-UHFFFAOYSA-N
XLogP4.79
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride with MolForge

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Related Compounds

3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133359085
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538614
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride?
The IUPAC name of 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride (CID 175954154) is 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride?
The canonical SMILES for 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride is CC(C)c1cn2nccc(NCc3ccccc3OC(F)(F)F)c2n1.Cl.
What is the InChIKey of 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride?
The InChIKey is LGWKPMIQZRQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O.ClH/c1-11(2)14-10-24-16(23-14)13(7-8-22-24)21-9-12-5-3-4-6-15(12)25-17(18,19)20;/h3-8,10-11,21H,9H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride?
2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride has a molecular weight of 386.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride is sourced from PubChem (CID 175954154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).