5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole

C17H17N3 — CID 62504307

IUPAC5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
SMILESCc1ccc(CCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H17N3/c1-13-7-9-14(10-8-13)11-12-16-18-17(20-19-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,19,20)
InChIKeyVGRPDBSZIZGDAG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.57
Rot. Bonds4

About 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole

5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole (PubChem CID 62504307) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
PubChem CID62504307
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
SMILESCc1ccc(CCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H17N3/c1-13-7-9-14(10-8-13)11-12-16-18-17(20-19-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,19,20)
InChIKeyVGRPDBSZIZGDAG-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568521
2-methyl-5-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82568607
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600441
5-[(3,4-dimethylphenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 62539638
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61352792
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
4-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
CID 56711620
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole (CID 62504307) is 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole is Cc1ccc(CCc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole?
The InChIKey is VGRPDBSZIZGDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-7-9-14(10-8-13)11-12-16-18-17(20-19-16)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,19,20).
What are the key properties of 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole?
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 62504307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).