2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine

C7H9Cl2N3O2 — CID 11970432

IUPAC2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
SMILESCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-2-13-3-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKeyQCIAWGOXCYGJNS-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.59
Rot. Bonds5

About 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine

2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine (PubChem CID 11970432) has the molecular formula C7H9Cl2N3O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
PubChem CID11970432
Molecular FormulaC7H9Cl2N3O2
Molecular Weight238.07 g/mol
Exact Mass237.01
IUPAC Name2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
SMILESCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-2-13-3-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKeyQCIAWGOXCYGJNS-UHFFFAOYSA-N
XLogP1.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine (CID 11970432) is 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine is CCOCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine?
The InChIKey is QCIAWGOXCYGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2/c1-2-13-3-4-14-7-11-5(8)10-6(9)12-7/h2-4H2,1H3.
What are the key properties of 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine has a molecular weight of 238.07 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine is sourced from PubChem (CID 11970432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).