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

C17H17N3 — CID 67608486

IUPAC5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
SMILESCCc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C17H17N3/c1-3-13-10-7-11-15(12(13)2)17-18-16(19-20-17)14-8-5-4-6-9-14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyDBBFIMZXOWGTCD-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.01
Rot. Bonds3

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

5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 67608486) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID67608486
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
SMILESCCc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C17H17N3/c1-3-13-10-7-11-15(12(13)2)17-18-16(19-20-17)14-8-5-4-6-9-14/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyDBBFIMZXOWGTCD-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
3-(4-Butyl-2-methylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 44448649
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
4-Methyl-3-(4-pentylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11581555
39080-35-8
CID 351015
5-(Heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole
CID 10903073
5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 747058
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole (CID 67608486) is 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole is CCc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1C.
What is the InChIKey of 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is DBBFIMZXOWGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-13-10-7-11-15(12(13)2)17-18-16(19-20-17)14-8-5-4-6-9-14/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole?
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 67608486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).