3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide

C6H13IN2O — CID 143084717

IUPAC3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
SMILESCC.Cc1noc(C)n1.I
InChIInChI=1S/C4H6N2O.C2H6.HI/c1-3-5-4(2)7-6-3;1-2;/h1-2H3;1-2H3;1H
InChIKeyVOWAFRIWICJUOC-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.33
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide

3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide (PubChem CID 143084717) has the molecular formula C6H13IN2O and a molecular weight of 256.09 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
PubChem CID143084717
Molecular FormulaC6H13IN2O
Molecular Weight256.09 g/mol
Exact Mass256.01
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide
SMILESCC.Cc1noc(C)n1.I
InChIInChI=1S/C4H6N2O.C2H6.HI/c1-3-5-4(2)7-6-3;1-2;/h1-2H3;1-2H3;1H
InChIKeyVOWAFRIWICJUOC-UHFFFAOYSA-N
XLogP2.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide (CID 143084717) is 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide is CC.Cc1noc(C)n1.I.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide?
The InChIKey is VOWAFRIWICJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H6.HI/c1-3-5-4(2)7-6-3;1-2;/h1-2H3;1-2H3;1H.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide?
3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide has a molecular weight of 256.09 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;ethane;hydroiodide is sourced from PubChem (CID 143084717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).