2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline

C15H11F3N4 — CID 134137580

IUPAC2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1cccc(Nc2ccccc2-c2ncn[nH]2)c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)10-4-3-5-11(8-10)21-13-7-2-1-6-12(13)14-19-9-20-22-14/h1-9,21H,(H,19,20,22)
InChIKeyZEYMLKUVBORVOH-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.23
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline

2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 134137580) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID134137580
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1cccc(Nc2ccccc2-c2ncn[nH]2)c1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)10-4-3-5-11(8-10)21-13-7-2-1-6-12(13)14-19-9-20-22-14/h1-9,21H,(H,19,20,22)
InChIKeyZEYMLKUVBORVOH-UHFFFAOYSA-N
XLogP4.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
2-(1H-1,2,4-triazol-5-yl)aniline
CID 3446512
3-(1H-1,2,4-Triazol-5-yl)benzenamine
CID 6484188
(3) 1H-1,2,4-triazol-3-yl-anilines
CID 57339835
3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline
CID 33779314
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]aniline
CID 9840212
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455298
2-[4-amino-5-(2-aminophenyl)-4H-1,2,4-triazol-3-yl]phenylamine
CID 3818607
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)aniline
CID 21823623
2-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372551

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline (CID 134137580) is 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1cccc(Nc2ccccc2-c2ncn[nH]2)c1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is ZEYMLKUVBORVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)10-4-3-5-11(8-10)21-13-7-2-1-6-12(13)14-19-9-20-22-14/h1-9,21H,(H,19,20,22).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 304.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 134137580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).