4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole

C23H21N3 — CID 50994829

IUPAC4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-3-18-9-7-8-12-22(18)26-17(2)24-25-23(26)21-15-13-20(14-16-21)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3
InChIKeyBUEWEWWZCTWFQJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.47
Rot. Bonds4

About 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole

4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 50994829) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
PubChem CID50994829
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-3-18-9-7-8-12-22(18)26-17(2)24-25-23(26)21-15-13-20(14-16-21)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3
InChIKeyBUEWEWWZCTWFQJ-UHFFFAOYSA-N
XLogP5.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
CID 618453
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
6-(2-fluorophenyl)-8-iodo-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 14851835
3-biphenyl-4-yl-4-(2-fluorophenyl)-5-methylsulfanyl-4H-1,2,4-triazole
CID 22019235
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpiperazine
CID 154929866
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-methyl-
CID 3060166
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
3-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
CID 659944

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole (CID 50994829) is 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole is CCc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is BUEWEWWZCTWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-3-18-9-7-8-12-22(18)26-17(2)24-25-23(26)21-15-13-20(14-16-21)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3.
What are the key properties of 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole?
4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 339.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-3-methyl-5-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 50994829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).