N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

C17H16F3N5 — CID 133433369

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2nccn2Cc2ccccc2)nn1
InChIInChI=1S/C17H16F3N5/c18-17(19,20)14-6-7-15(24-23-14)21-9-8-16-22-10-11-25(16)12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,21,24)
InChIKeyQFEJHLOSYSCEQP-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133433369) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133433369
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2nccn2Cc2ccccc2)nn1
InChIInChI=1S/C17H16F3N5/c18-17(19,20)14-6-7-15(24-23-14)21-9-8-16-22-10-11-25(16)12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,21,24)
InChIKeyQFEJHLOSYSCEQP-UHFFFAOYSA-N
XLogP3.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
CID 45219998
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133324119
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474090
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
1-benzyl-2-octylimidazole
CID 70491727
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267887
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133433369) is N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCCc2nccn2Cc2ccccc2)nn1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is QFEJHLOSYSCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-17(19,20)14-6-7-15(24-23-14)21-9-8-16-22-10-11-25(16)12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,21,24).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 347.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133433369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).