1-benzyl-4-(4-methoxyphenyl)triazole

C16H15N3O — CID 25185932

IUPAC1-benzyl-4-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-20-15-9-7-14(8-10-15)16-12-19(18-17-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyBSYKRPNMJAQEEU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds4

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

1-benzyl-4-(4-methoxyphenyl)triazole (PubChem CID 25185932) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)triazole
PubChem CID25185932
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-benzyl-4-(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-20-15-9-7-14(8-10-15)16-12-19(18-17-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyBSYKRPNMJAQEEU-UHFFFAOYSA-N
XLogP3.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxyphenyl)triazole?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)triazole (CID 25185932) is 1-benzyl-4-(4-methoxyphenyl)triazole.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)triazole?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)triazole is COc1ccc(-c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)triazole?
The InChIKey is BSYKRPNMJAQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-9-7-14(8-10-15)16-12-19(18-17-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)triazole?
1-benzyl-4-(4-methoxyphenyl)triazole has a molecular weight of 265.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)triazole is sourced from PubChem (CID 25185932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).