2-ethyl-4,5-di(thiophen-3-yl)triazole

C12H11N3S2 — CID 121014041

IUPAC2-ethyl-4,5-di(thiophen-3-yl)triazole
SMILESCCn1nc(-c2ccsc2)c(-c2ccsc2)n1
InChIInChI=1S/C12H11N3S2/c1-2-15-13-11(9-3-5-16-7-9)12(14-15)10-4-6-17-8-10/h3-8H,2H2,1H3
InChIKeyCEMHMVSZCMJYJV-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.76
Rot. Bonds3

About 2-ethyl-4,5-di(thiophen-3-yl)triazole

2-ethyl-4,5-di(thiophen-3-yl)triazole (PubChem CID 121014041) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is 2-ethyl-4,5-di(thiophen-3-yl)triazole.

Molecular Properties

Compound Name2-ethyl-4,5-di(thiophen-3-yl)triazole
PubChem CID121014041
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name2-ethyl-4,5-di(thiophen-3-yl)triazole
SMILESCCn1nc(-c2ccsc2)c(-c2ccsc2)n1
InChIInChI=1S/C12H11N3S2/c1-2-15-13-11(9-3-5-16-7-9)12(14-15)10-4-6-17-8-10/h3-8H,2H2,1H3
InChIKeyCEMHMVSZCMJYJV-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4,5-di(thiophen-3-yl)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 2-ethyl-4,5-di(thiophen-3-yl)triazole?
The IUPAC name of 2-ethyl-4,5-di(thiophen-3-yl)triazole (CID 121014041) is 2-ethyl-4,5-di(thiophen-3-yl)triazole.
What is the SMILES notation for 2-ethyl-4,5-di(thiophen-3-yl)triazole?
The canonical SMILES for 2-ethyl-4,5-di(thiophen-3-yl)triazole is CCn1nc(-c2ccsc2)c(-c2ccsc2)n1.
What is the InChIKey of 2-ethyl-4,5-di(thiophen-3-yl)triazole?
The InChIKey is CEMHMVSZCMJYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-2-15-13-11(9-3-5-16-7-9)12(14-15)10-4-6-17-8-10/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-4,5-di(thiophen-3-yl)triazole?
2-ethyl-4,5-di(thiophen-3-yl)triazole has a molecular weight of 261.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-di(thiophen-3-yl)triazole is sourced from PubChem (CID 121014041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).