5-benzyl-3-phenyl-1H-1,2,4-triazole

C15H13N3 — CID 12949989

IUPAC5-benzyl-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H13N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18)
InChIKeyVELJKZCOFOESAQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.06
Rot. Bonds3

About 5-benzyl-3-phenyl-1H-1,2,4-triazole

5-benzyl-3-phenyl-1H-1,2,4-triazole (PubChem CID 12949989) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-benzyl-3-phenyl-1H-1,2,4-triazole
PubChem CID12949989
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-benzyl-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H13N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18)
InChIKeyVELJKZCOFOESAQ-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-benzyl-3-phenyl-1H-1,2,4-triazole (CID 12949989) is 5-benzyl-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-benzyl-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-benzyl-3-phenyl-1H-1,2,4-triazole is c1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-benzyl-3-phenyl-1H-1,2,4-triazole?
The InChIKey is VELJKZCOFOESAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18).
What are the key properties of 5-benzyl-3-phenyl-1H-1,2,4-triazole?
5-benzyl-3-phenyl-1H-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 12949989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).