3-Phenyl-5-p-tolyl-S-triazole

C15H13N3 — CID 134528

IUPAC5-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazole
SMILESCC1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3
InChIInChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-16-14(17-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyOGSBRDJAMKKTRH-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.70
Rot. Bonds2

About 3-Phenyl-5-p-tolyl-S-triazole

3-Phenyl-5-p-tolyl-S-triazole (PubChem CID 134528) has the molecular formula C15H13N3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-Phenyl-5-p-tolyl-S-triazole
PubChem CID134528
Molecular FormulaC15H13N3
Molecular Weight235.28 g/mol
Exact Mass235.11
IUPAC Name5-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazole
SMILESCC1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3
InChIInChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-16-14(17-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyOGSBRDJAMKKTRH-UHFFFAOYSA-N
XLogP3.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Phenyl-5-p-tolyl-S-triazole?
The IUPAC name of 3-Phenyl-5-p-tolyl-S-triazole (CID 134528) is 5-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-Phenyl-5-p-tolyl-S-triazole?
The canonical SMILES for 3-Phenyl-5-p-tolyl-S-triazole is CC1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3.
What is the InChIKey of 3-Phenyl-5-p-tolyl-S-triazole?
The InChIKey is OGSBRDJAMKKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-16-14(17-18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of 3-Phenyl-5-p-tolyl-S-triazole?
3-Phenyl-5-p-tolyl-S-triazole has a molecular weight of 235.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Phenyl-5-p-tolyl-S-triazole is sourced from PubChem (CID 134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).