N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine

C14H12F4N4O — CID 155110984

IUPACN-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine
SMILESCN1C(NF)C=Cc2ncc(-c3cccc(OC(F)(F)F)c3)n21
InChIInChI=1S/C14H12F4N4O/c1-21-13(20-18)6-5-12-19-8-11(22(12)21)9-3-2-4-10(7-9)23-14(15,16)17/h2-8,13,20H,1H3
InChIKeySGEVAVJIPURFKY-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.84
Rot. Bonds3

About N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine

N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine (PubChem CID 155110984) has the molecular formula C14H12F4N4O and a molecular weight of 328.27 g/mol. Its IUPAC name is N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine
PubChem CID155110984
Molecular FormulaC14H12F4N4O
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC NameN-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine
SMILESCN1C(NF)C=Cc2ncc(-c3cccc(OC(F)(F)F)c3)n21
InChIInChI=1S/C14H12F4N4O/c1-21-13(20-18)6-5-12-19-8-11(22(12)21)9-3-2-4-10(7-9)23-14(15,16)17/h2-8,13,20H,1H3
InChIKeySGEVAVJIPURFKY-UHFFFAOYSA-N
XLogP2.84
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
Lmtk3-IN-1
CID 138454301
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345801
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
3-(3,4-dimethoxyphenyl)-N-methyl-6-imidazo[1,2-b]pyridazinamine
CID 46948099
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976

Frequently Asked Questions

What is the IUPAC name of N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine (CID 155110984) is N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine is CN1C(NF)C=Cc2ncc(-c3cccc(OC(F)(F)F)c3)n21.
What is the InChIKey of N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SGEVAVJIPURFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O/c1-21-13(20-18)6-5-12-19-8-11(22(12)21)9-3-2-4-10(7-9)23-14(15,16)17/h2-8,13,20H,1H3.
What are the key properties of N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine?
N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 328.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-5-methyl-3-[3-(trifluoromethoxy)phenyl]-6H-imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 155110984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).