4-benzyl-1-methyl-5-phenyltriazole

C16H15N3 — CID 102338119

IUPAC4-benzyl-1-methyl-5-phenyltriazole
SMILESCn1nnc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-19-16(14-10-6-3-7-11-14)15(17-18-19)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyQVXHHQKIYJIOFJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.07
Rot. Bonds3

About 4-benzyl-1-methyl-5-phenyltriazole

4-benzyl-1-methyl-5-phenyltriazole (PubChem CID 102338119) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-benzyl-1-methyl-5-phenyltriazole.

Molecular Properties

Compound Name4-benzyl-1-methyl-5-phenyltriazole
PubChem CID102338119
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-benzyl-1-methyl-5-phenyltriazole
SMILESCn1nnc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-19-16(14-10-6-3-7-11-14)15(17-18-19)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyQVXHHQKIYJIOFJ-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methyl-5-phenyltriazole?
The IUPAC name of 4-benzyl-1-methyl-5-phenyltriazole (CID 102338119) is 4-benzyl-1-methyl-5-phenyltriazole.
What is the SMILES notation for 4-benzyl-1-methyl-5-phenyltriazole?
The canonical SMILES for 4-benzyl-1-methyl-5-phenyltriazole is Cn1nnc(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-benzyl-1-methyl-5-phenyltriazole?
The InChIKey is QVXHHQKIYJIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-19-16(14-10-6-3-7-11-14)15(17-18-19)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3.
What are the key properties of 4-benzyl-1-methyl-5-phenyltriazole?
4-benzyl-1-methyl-5-phenyltriazole has a molecular weight of 249.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methyl-5-phenyltriazole is sourced from PubChem (CID 102338119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).