2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine

C12H21N3O6 — CID 132523931

IUPAC2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine
SMILESCOCCOc1nc(OCCOC)nc(OCCOC)n1
InChIInChI=1S/C12H21N3O6/c1-16-4-7-19-10-13-11(20-8-5-17-2)15-12(14-10)21-9-6-18-3/h4-9H2,1-3H3
InChIKeyCMPNJEFSLAGNHA-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.05
Rot. Bonds12

About 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine

2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine (PubChem CID 132523931) has the molecular formula C12H21N3O6 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine
PubChem CID132523931
Molecular FormulaC12H21N3O6
Molecular Weight303.31 g/mol
Exact Mass303.14
IUPAC Name2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine
SMILESCOCCOc1nc(OCCOC)nc(OCCOC)n1
InChIInChI=1S/C12H21N3O6/c1-16-4-7-19-10-13-11(20-8-5-17-2)15-12(14-10)21-9-6-18-3/h4-9H2,1-3H3
InChIKeyCMPNJEFSLAGNHA-UHFFFAOYSA-N
XLogP-0.05
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine (CID 132523931) is 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine is COCCOc1nc(OCCOC)nc(OCCOC)n1.
What is the InChIKey of 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine?
The InChIKey is CMPNJEFSLAGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-16-4-7-19-10-13-11(20-8-5-17-2)15-12(14-10)21-9-6-18-3/h4-9H2,1-3H3.
What are the key properties of 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine?
2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine has a molecular weight of 303.31 g/mol, XLogP of -0.05, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methoxyethoxy)-1,3,5-triazine is sourced from PubChem (CID 132523931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).