N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H15F3N4 — CID 143916076

IUPACN-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(Nc2nc3c(-c4cccc(C(F)(F)F)c4)cccn3n2)cc1
InChIInChI=1S/C20H15F3N4/c1-13-7-9-16(10-8-13)24-19-25-18-17(6-3-11-27(18)26-19)14-4-2-5-15(12-14)20(21,22)23/h2-12H,1H3,(H,24,26)
InChIKeyKXCJKFYKETYHLX-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.47
Rot. Bonds3

About N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 143916076) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID143916076
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(Nc2nc3c(-c4cccc(C(F)(F)F)c4)cccn3n2)cc1
InChIInChI=1S/C20H15F3N4/c1-13-7-9-16(10-8-13)24-19-25-18-17(6-3-11-27(18)26-19)14-4-2-5-15(12-14)20(21,22)23/h2-12H,1H3,(H,24,26)
InChIKeyKXCJKFYKETYHLX-UHFFFAOYSA-N
XLogP5.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 59198950
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44554838
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
8-[3-(fluoromethoxy)phenyl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122698040
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59198952
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
2-[[4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoyl]amino]ethylcarbamic acid
CID 159485043
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154311532
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 143916076) is N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc(Nc2nc3c(-c4cccc(C(F)(F)F)c4)cccn3n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KXCJKFYKETYHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c1-13-7-9-16(10-8-13)24-19-25-18-17(6-3-11-27(18)26-19)14-4-2-5-15(12-14)20(21,22)23/h2-12H,1H3,(H,24,26).
What are the key properties of N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 368.36 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 143916076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).