1-benzyl-4-thiophen-2-yltriazole

C13H11N3S — CID 11715687

IUPAC1-benzyl-4-thiophen-2-yltriazole
SMILESc1ccc(Cn2cc(-c3cccs3)nn2)cc1
InChIInChI=1S/C13H11N3S/c1-2-5-11(6-3-1)9-16-10-12(14-15-16)13-7-4-8-17-13/h1-8,10H,9H2
InChIKeyDRMGVIUXUNYHCZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.05
Rot. Bonds3

About 1-benzyl-4-thiophen-2-yltriazole

1-benzyl-4-thiophen-2-yltriazole (PubChem CID 11715687) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-benzyl-4-thiophen-2-yltriazole.

Molecular Properties

Compound Name1-benzyl-4-thiophen-2-yltriazole
PubChem CID11715687
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name1-benzyl-4-thiophen-2-yltriazole
SMILESc1ccc(Cn2cc(-c3cccs3)nn2)cc1
InChIInChI=1S/C13H11N3S/c1-2-5-11(6-3-1)9-16-10-12(14-15-16)13-7-4-8-17-13/h1-8,10H,9H2
InChIKeyDRMGVIUXUNYHCZ-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-thiophen-2-yltriazole?
The IUPAC name of 1-benzyl-4-thiophen-2-yltriazole (CID 11715687) is 1-benzyl-4-thiophen-2-yltriazole.
What is the SMILES notation for 1-benzyl-4-thiophen-2-yltriazole?
The canonical SMILES for 1-benzyl-4-thiophen-2-yltriazole is c1ccc(Cn2cc(-c3cccs3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-thiophen-2-yltriazole?
The InChIKey is DRMGVIUXUNYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-5-11(6-3-1)9-16-10-12(14-15-16)13-7-4-8-17-13/h1-8,10H,9H2.
What are the key properties of 1-benzyl-4-thiophen-2-yltriazole?
1-benzyl-4-thiophen-2-yltriazole has a molecular weight of 241.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-thiophen-2-yltriazole is sourced from PubChem (CID 11715687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).