5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C20H18F3N7O — CID 67606646

IUPAC5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCOc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N7O/c1-12-10-30(11-24-12)16-8-7-15(26-18(16)31-3)17-27-19(29(2)28-17)25-14-6-4-5-13(9-14)20(21,22)23/h4-11H,1-3H3,(H,25,27,28)
InChIKeyLMLLOOJWUHPETM-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.14
Rot. Bonds5

About 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 67606646) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID67606646
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCOc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N7O/c1-12-10-30(11-24-12)16-8-7-15(26-18(16)31-3)17-27-19(29(2)28-17)25-14-6-4-5-13(9-14)20(21,22)23/h4-11H,1-3H3,(H,25,27,28)
InChIKeyLMLLOOJWUHPETM-UHFFFAOYSA-N
XLogP4.14
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

E-2212
CID 46854987
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11257380
3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzenamine
CID 18406880
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
CID 42632633
N-[(1S)-1-(3-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632635
N-[(1S)-1-(2-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632637
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632750
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632752
N-[(4-fluorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632772

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 67606646) is 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is COc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is LMLLOOJWUHPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-12-10-30(11-24-12)16-8-7-15(26-18(16)31-3)17-27-19(29(2)28-17)25-14-6-4-5-13(9-14)20(21,22)23/h4-11H,1-3H3,(H,25,27,28).
What are the key properties of 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 429.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 67606646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).