3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole

C9H10ClN3OS — CID 115393550

IUPAC3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3OS/c1-14-5-4-13-6-11-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3
InChIKeyYRDVVIBHHXPVQR-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393550) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393550
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3OS/c1-14-5-4-13-6-11-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3
InChIKeyYRDVVIBHHXPVQR-UHFFFAOYSA-N
XLogP2.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-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-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393550) is 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is YRDVVIBHHXPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-14-5-4-13-6-11-12-9(13)7-2-3-8(10)15-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 243.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).