1-benzyl-4-(phenoxymethyl)triazole

C16H15N3O — CID 715186

IUPAC1-benzyl-4-(phenoxymethyl)triazole
SMILESc1ccc(Cn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-3-7-14(8-4-1)11-19-12-15(17-18-19)13-20-16-9-5-2-6-10-16/h1-10,12H,11,13H2
InChIKeyYXUKSJXOHNRFMK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.91
Rot. Bonds5

About 1-benzyl-4-(phenoxymethyl)triazole

1-benzyl-4-(phenoxymethyl)triazole (PubChem CID 715186) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-benzyl-4-(phenoxymethyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(phenoxymethyl)triazole
PubChem CID715186
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-benzyl-4-(phenoxymethyl)triazole
SMILESc1ccc(Cn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-3-7-14(8-4-1)11-19-12-15(17-18-19)13-20-16-9-5-2-6-10-16/h1-10,12H,11,13H2
InChIKeyYXUKSJXOHNRFMK-UHFFFAOYSA-N
XLogP2.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(phenoxymethyl)triazole?
The IUPAC name of 1-benzyl-4-(phenoxymethyl)triazole (CID 715186) is 1-benzyl-4-(phenoxymethyl)triazole.
What is the SMILES notation for 1-benzyl-4-(phenoxymethyl)triazole?
The canonical SMILES for 1-benzyl-4-(phenoxymethyl)triazole is c1ccc(Cn2cc(COc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(phenoxymethyl)triazole?
The InChIKey is YXUKSJXOHNRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-7-14(8-4-1)11-19-12-15(17-18-19)13-20-16-9-5-2-6-10-16/h1-10,12H,11,13H2.
What are the key properties of 1-benzyl-4-(phenoxymethyl)triazole?
1-benzyl-4-(phenoxymethyl)triazole has a molecular weight of 265.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(phenoxymethyl)triazole is sourced from PubChem (CID 715186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).