2,4-diethoxy-6-iodo-1,3,5-triazine

C7H10IN3O2 — CID 142634981

IUPAC2,4-diethoxy-6-iodo-1,3,5-triazine
SMILESCCOc1nc(I)nc(OCC)n1
InChIInChI=1S/C7H10IN3O2/c1-3-12-6-9-5(8)10-7(11-6)13-4-2/h3-4H2,1-2H3
InChIKeyGKTUJXQAIYZYEX-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.27
Rot. Bonds4

About 2,4-diethoxy-6-iodo-1,3,5-triazine

2,4-diethoxy-6-iodo-1,3,5-triazine (PubChem CID 142634981) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2,4-diethoxy-6-iodo-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethoxy-6-iodo-1,3,5-triazine
PubChem CID142634981
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name2,4-diethoxy-6-iodo-1,3,5-triazine
SMILESCCOc1nc(I)nc(OCC)n1
InChIInChI=1S/C7H10IN3O2/c1-3-12-6-9-5(8)10-7(11-6)13-4-2/h3-4H2,1-2H3
InChIKeyGKTUJXQAIYZYEX-UHFFFAOYSA-N
XLogP1.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-6-iodo-1,3,5-triazine?
The IUPAC name of 2,4-diethoxy-6-iodo-1,3,5-triazine (CID 142634981) is 2,4-diethoxy-6-iodo-1,3,5-triazine.
What is the SMILES notation for 2,4-diethoxy-6-iodo-1,3,5-triazine?
The canonical SMILES for 2,4-diethoxy-6-iodo-1,3,5-triazine is CCOc1nc(I)nc(OCC)n1.
What is the InChIKey of 2,4-diethoxy-6-iodo-1,3,5-triazine?
The InChIKey is GKTUJXQAIYZYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-3-12-6-9-5(8)10-7(11-6)13-4-2/h3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-6-iodo-1,3,5-triazine?
2,4-diethoxy-6-iodo-1,3,5-triazine has a molecular weight of 295.08 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-6-iodo-1,3,5-triazine is sourced from PubChem (CID 142634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).