5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C8H11N5O2 — CID 62945476

IUPAC5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCOCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H11N5O2/c1-2-14-4-3-6-11-8(13-15-6)7-9-5-10-12-7/h5H,2-4H2,1H3,(H,9,10,12)
InChIKeyOWHDMHHLDJZXEO-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.43
Rot. Bonds5

About 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62945476) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62945476
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCOCCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C8H11N5O2/c1-2-14-4-3-6-11-8(13-15-6)7-9-5-10-12-7/h5H,2-4H2,1H3,(H,9,10,12)
InChIKeyOWHDMHHLDJZXEO-UHFFFAOYSA-N
XLogP0.43
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62945476) is 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CCOCCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is OWHDMHHLDJZXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-14-4-3-6-11-8(13-15-6)7-9-5-10-12-7/h5H,2-4H2,1H3,(H,9,10,12).
What are the key properties of 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 209.21 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62945476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).