1-[2-(4-methoxyphenyl)sulfanylethyl]triazole

C11H13N3OS — CID 154698631

IUPAC1-[2-(4-methoxyphenyl)sulfanylethyl]triazole
SMILESCOc1ccc(SCCn2ccnn2)cc1
InChIInChI=1S/C11H13N3OS/c1-15-10-2-4-11(5-3-10)16-9-8-14-7-6-12-13-14/h2-7H,8-9H2,1H3
InChIKeyDSUBNVXNWDKKDD-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.08
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole

1-[2-(4-methoxyphenyl)sulfanylethyl]triazole (PubChem CID 154698631) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylethyl]triazole
PubChem CID154698631
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylethyl]triazole
SMILESCOc1ccc(SCCn2ccnn2)cc1
InChIInChI=1S/C11H13N3OS/c1-15-10-2-4-11(5-3-10)16-9-8-14-7-6-12-13-14/h2-7H,8-9H2,1H3
InChIKeyDSUBNVXNWDKKDD-UHFFFAOYSA-N
XLogP2.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole (CID 154698631) is 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole is COc1ccc(SCCn2ccnn2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole?
The InChIKey is DSUBNVXNWDKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-10-2-4-11(5-3-10)16-9-8-14-7-6-12-13-14/h2-7H,8-9H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole?
1-[2-(4-methoxyphenyl)sulfanylethyl]triazole has a molecular weight of 235.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanylethyl]triazole is sourced from PubChem (CID 154698631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).