3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole

C9H9Cl2N3S — CID 107967369

IUPAC3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C9H9Cl2N3S/c1-5(2)14-4-12-13-9(14)6-3-7(10)15-8(6)11/h3-5H,1-2H3
InChIKeyWLFIMMQAWMSPQU-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.89
Rot. Bonds2

About 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole

3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 107967369) has the molecular formula C9H9Cl2N3S and a molecular weight of 262.17 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole
PubChem CID107967369
Molecular FormulaC9H9Cl2N3S
Molecular Weight262.17 g/mol
Exact Mass260.99
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C9H9Cl2N3S/c1-5(2)14-4-12-13-9(14)6-3-7(10)15-8(6)11/h3-5H,1-2H3
InChIKeyWLFIMMQAWMSPQU-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-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 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole (CID 107967369) is 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is WLFIMMQAWMSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3S/c1-5(2)14-4-12-13-9(14)6-3-7(10)15-8(6)11/h3-5H,1-2H3.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole?
3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 262.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 107967369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).