5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

C10H13N3OS — CID 62735263

IUPAC5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESCCOCCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H13N3OS/c1-2-14-6-5-9-11-10(13-12-9)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyDPQCLQKMIUQUQC-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.11
Rot. Bonds5

About 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 62735263) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID62735263
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESCCOCCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C10H13N3OS/c1-2-14-6-5-9-11-10(13-12-9)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyDPQCLQKMIUQUQC-UHFFFAOYSA-N
XLogP2.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 62735263) is 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is CCOCCc1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is DPQCLQKMIUQUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-14-6-5-9-11-10(13-12-9)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,12,13).
What are the key properties of 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 223.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 62735263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).