4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole

C17H17N3 — CID 58240243

IUPAC4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-n1c(C)nnc1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-19-17(20)15-10-5-4-6-11-15/h4-11H,1-3H3
InChIKeyCHTAWCILCVOGIV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds2

About 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole

4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole (PubChem CID 58240243) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole
PubChem CID58240243
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-n1c(C)nnc1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-19-17(20)15-10-5-4-6-11-15/h4-11H,1-3H3
InChIKeyCHTAWCILCVOGIV-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
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
8-ethynyl-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 14851900
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
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
8-Acetylenyl-1-methyl-6-phenyl-4h-s-triazolo[4,3-a][1,4]benzodiazepine
CID 21930934
(4S)-8-ethynyl-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 59535580
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The IUPAC name of 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole (CID 58240243) is 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole is Cc1cccc(C)c1-n1c(C)nnc1-c1ccccc1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole?
The InChIKey is CHTAWCILCVOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-19-17(20)15-10-5-4-6-11-15/h4-11H,1-3H3.
What are the key properties of 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole?
4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-3-methyl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 58240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).