4-phenyl-2-(thiophen-2-ylmethyl)triazole

C13H11N3S — CID 168868215

IUPAC4-phenyl-2-(thiophen-2-ylmethyl)triazole
SMILESc1ccc(-c2cnn(Cc3cccs3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-2-5-11(6-3-1)13-9-14-16(15-13)10-12-7-4-8-17-12/h1-9H,10H2
InChIKeyWOZXAQPVZGUNQG-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.05
Rot. Bonds3

About 4-phenyl-2-(thiophen-2-ylmethyl)triazole

4-phenyl-2-(thiophen-2-ylmethyl)triazole (PubChem CID 168868215) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-phenyl-2-(thiophen-2-ylmethyl)triazole.

Molecular Properties

Compound Name4-phenyl-2-(thiophen-2-ylmethyl)triazole
PubChem CID168868215
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-phenyl-2-(thiophen-2-ylmethyl)triazole
SMILESc1ccc(-c2cnn(Cc3cccs3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-2-5-11(6-3-1)13-9-14-16(15-13)10-12-7-4-8-17-12/h1-9H,10H2
InChIKeyWOZXAQPVZGUNQG-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 4-phenyl-2-(thiophen-2-ylmethyl)triazole?
The IUPAC name of 4-phenyl-2-(thiophen-2-ylmethyl)triazole (CID 168868215) is 4-phenyl-2-(thiophen-2-ylmethyl)triazole.
What is the SMILES notation for 4-phenyl-2-(thiophen-2-ylmethyl)triazole?
The canonical SMILES for 4-phenyl-2-(thiophen-2-ylmethyl)triazole is c1ccc(-c2cnn(Cc3cccs3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(thiophen-2-ylmethyl)triazole?
The InChIKey is WOZXAQPVZGUNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-5-11(6-3-1)13-9-14-16(15-13)10-12-7-4-8-17-12/h1-9H,10H2.
What are the key properties of 4-phenyl-2-(thiophen-2-ylmethyl)triazole?
4-phenyl-2-(thiophen-2-ylmethyl)triazole 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 4-phenyl-2-(thiophen-2-ylmethyl)triazole is sourced from PubChem (CID 168868215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).