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

C25H24F3N5O2 — CID 53327562

IUPACN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2nc(Oc3cccc(C(F)(F)F)c3)n(C(C)C)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C25H24F3N5O2/c1-15(2)33-24(35-20-7-5-6-18(13-20)25(26,27)28)31-23(32-33)30-19-8-9-21(22(14-19)34-4)17-10-11-29-16(3)12-17/h5-15H,1-4H3,(H,30,32)
InChIKeyXITAJLUKGNGFSB-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.79
Rot. Bonds7

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

N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine (PubChem CID 53327562) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine
PubChem CID53327562
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC NameN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine
SMILESCOc1cc(Nc2nc(Oc3cccc(C(F)(F)F)c3)n(C(C)C)n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C25H24F3N5O2/c1-15(2)33-24(35-20-7-5-6-18(13-20)25(26,27)28)31-23(32-33)30-19-8-9-21(22(14-19)34-4)17-10-11-29-16(3)12-17/h5-15H,1-4H3,(H,30,32)
InChIKeyXITAJLUKGNGFSB-UHFFFAOYSA-N
XLogP6.79
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chlorophenoxy)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine
CID 53327558
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazol-3-amine
CID 53327509
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
5-(3,3-dimethylpiperidin-1-yl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-1,2,4-triazol-3-amine;dihydrochloride
CID 90339688
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
8-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325244
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325259
2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158044675
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
2-methyl-5-[(1R,5S)-8-[[1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-oxadiazole
CID 158876896

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine?
The IUPAC name of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine (CID 53327562) is N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine?
The canonical SMILES for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine is COc1cc(Nc2nc(Oc3cccc(C(F)(F)F)c3)n(C(C)C)n2)ccc1-c1ccnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine?
The InChIKey is XITAJLUKGNGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15(2)33-24(35-20-7-5-6-18(13-20)25(26,27)28)31-23(32-33)30-19-8-9-21(22(14-19)34-4)17-10-11-29-16(3)12-17/h5-15H,1-4H3,(H,30,32).
What are the key properties of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine?
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine has a molecular weight of 483.49 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-3-amine is sourced from PubChem (CID 53327562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).