ethane;2H-triazole;hydroiodide

C4H10IN3 — CID 168942490

IUPACethane;2H-triazole;hydroiodide
SMILESCC.I.c1cn[nH]n1
InChIInChI=1S/C2H3N3.C2H6.HI/c1-2-4-5-3-1;1-2;/h1-2H,(H,3,4,5);1-2H3;1H
InChIKeyLZGXNPJRUPSRSS-UHFFFAOYSA-N
MW227.05 g/mol
LogP1.45
Rot. Bonds

About ethane;2H-triazole;hydroiodide

ethane;2H-triazole;hydroiodide (PubChem CID 168942490) has the molecular formula C4H10IN3 and a molecular weight of 227.05 g/mol. Its IUPAC name is ethane;2H-triazole;hydroiodide.

Molecular Properties

Compound Nameethane;2H-triazole;hydroiodide
PubChem CID168942490
Molecular FormulaC4H10IN3
Molecular Weight227.05 g/mol
Exact Mass226.99
IUPAC Nameethane;2H-triazole;hydroiodide
SMILESCC.I.c1cn[nH]n1
InChIInChI=1S/C2H3N3.C2H6.HI/c1-2-4-5-3-1;1-2;/h1-2H,(H,3,4,5);1-2H3;1H
InChIKeyLZGXNPJRUPSRSS-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2H-triazole;hydroiodide?
The IUPAC name of ethane;2H-triazole;hydroiodide (CID 168942490) is ethane;2H-triazole;hydroiodide.
What is the SMILES notation for ethane;2H-triazole;hydroiodide?
The canonical SMILES for ethane;2H-triazole;hydroiodide is CC.I.c1cn[nH]n1.
What is the InChIKey of ethane;2H-triazole;hydroiodide?
The InChIKey is LZGXNPJRUPSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.C2H6.HI/c1-2-4-5-3-1;1-2;/h1-2H,(H,3,4,5);1-2H3;1H.
What are the key properties of ethane;2H-triazole;hydroiodide?
ethane;2H-triazole;hydroiodide has a molecular weight of 227.05 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-triazole;hydroiodide is sourced from PubChem (CID 168942490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).