1-benzyl-4-(4-methylphenyl)triazole

C16H15N3 — CID 57332736

IUPAC1-benzyl-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-13-7-9-15(10-8-13)16-12-19(18-17-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyAMPMCXKXHOAJKA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 1-benzyl-4-(4-methylphenyl)triazole

1-benzyl-4-(4-methylphenyl)triazole (PubChem CID 57332736) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-benzyl-4-(4-methylphenyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(4-methylphenyl)triazole
PubChem CID57332736
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-benzyl-4-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-13-7-9-15(10-8-13)16-12-19(18-17-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyAMPMCXKXHOAJKA-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methylphenyl)triazole?
The IUPAC name of 1-benzyl-4-(4-methylphenyl)triazole (CID 57332736) is 1-benzyl-4-(4-methylphenyl)triazole.
What is the SMILES notation for 1-benzyl-4-(4-methylphenyl)triazole?
The canonical SMILES for 1-benzyl-4-(4-methylphenyl)triazole is Cc1ccc(-c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methylphenyl)triazole?
The InChIKey is AMPMCXKXHOAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-7-9-15(10-8-13)16-12-19(18-17-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 1-benzyl-4-(4-methylphenyl)triazole?
1-benzyl-4-(4-methylphenyl)triazole has a molecular weight of 249.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methylphenyl)triazole is sourced from PubChem (CID 57332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).