4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole

C9H11N3OS — CID 69250902

IUPAC4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1sccc1OC
InChIInChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyOINWGZIGTAZYGC-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.04
Rot. Bonds3

About 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole

4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole (PubChem CID 69250902) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
PubChem CID69250902
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1sccc1OC
InChIInChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3
InChIKeyOINWGZIGTAZYGC-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole (CID 69250902) is 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole is CCn1cnnc1-c1sccc1OC.
What is the InChIKey of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
The InChIKey is OINWGZIGTAZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-12-6-10-11-9(12)8-7(13-2)4-5-14-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole?
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole has a molecular weight of 209.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole is sourced from PubChem (CID 69250902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).