N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine

C15H13F3N4O — CID 167950833

IUPACN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)COc1ccc(CNc2ccc3nccn3n2)cc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-23-12-3-1-11(2-4-12)9-20-13-5-6-14-19-7-8-22(14)21-13/h1-8H,9-10H2,(H,20,21)
InChIKeyYTRVULSKCKGXSQ-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.28
Rot. Bonds5

About N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 167950833) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID167950833
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)COc1ccc(CNc2ccc3nccn3n2)cc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-23-12-3-1-11(2-4-12)9-20-13-5-6-14-19-7-8-22(14)21-13/h1-8H,9-10H2,(H,20,21)
InChIKeyYTRVULSKCKGXSQ-UHFFFAOYSA-N
XLogP3.28
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 31260275
1-(imidazo[1,2-b]pyridazin-6-ylamino)-2-methylpropan-2-ol
CID 151019019
[4-[[4-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006461
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
CID 91641402
3-tert-butyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489716
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447
6-[[4-(trifluoromethoxy)phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 139429688
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol
CID 144738559
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67743465

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine (CID 167950833) is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)COc1ccc(CNc2ccc3nccn3n2)cc1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YTRVULSKCKGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)10-23-12-3-1-11(2-4-12)9-20-13-5-6-14-19-7-8-22(14)21-13/h1-8H,9-10H2,(H,20,21).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine?
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 322.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 167950833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).