2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline

C19H13F3N4 — CID 175930738

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2ccn3cnnc3c2)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)13-9-10-26-12-23-25-18(26)11-13/h1-12,24H
InChIKeyOKMAMUNJWGMSGO-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.16
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline

2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 175930738) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID175930738
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2ccn3cnnc3c2)cc1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)13-9-10-26-12-23-25-18(26)11-13/h1-12,24H
InChIKeyOKMAMUNJWGMSGO-UHFFFAOYSA-N
XLogP5.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
CID 175923781
2-[2-[2-(methylamino)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372658
2-[2-[2-(trifluoromethoxy)ethyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 146402505
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
2-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372551
2-(2-pyrimidin-4-yltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 146402504
N'-hydroxy-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboximidamide
CID 155712987
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
2-[2-[(2R,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372342
3-(2-methyltetrazol-5-yl)-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 138682279
6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350757

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 175930738) is 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccccc2-c2ccn3cnnc3c2)cc1.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is OKMAMUNJWGMSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)13-9-10-26-12-23-25-18(26)11-13/h1-12,24H.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 354.34 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 175930738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).