4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole

C9H11N3OS — CID 115393505

IUPAC4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cccs1
InChIInChI=1S/C9H11N3OS/c1-13-5-4-12-7-10-11-9(12)8-3-2-6-14-8/h2-3,6-7H,4-5H2,1H3
InChIKeyRNCOMFGCQOLQND-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.65
Rot. Bonds4

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

4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole (PubChem CID 115393505) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole
PubChem CID115393505
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cccs1
InChIInChI=1S/C9H11N3OS/c1-13-5-4-12-7-10-11-9(12)8-3-2-6-14-8/h2-3,6-7H,4-5H2,1H3
InChIKeyRNCOMFGCQOLQND-UHFFFAOYSA-N
XLogP1.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole (CID 115393505) is 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole is COCCn1cnnc1-c1cccs1.
What is the InChIKey of 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole?
The InChIKey is RNCOMFGCQOLQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-13-5-4-12-7-10-11-9(12)8-3-2-6-14-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole?
4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole has a molecular weight of 209.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 115393505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).