1,4-dioxane;2,4,6-trichloro-1,3,5-triazine

C7H8Cl3N3O2 — CID 175183394

IUPAC1,4-dioxane;2,4,6-trichloro-1,3,5-triazine
SMILESC1COCCO1.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H8O2.C3Cl3N3/c1-2-6-4-3-5-1;4-1-7-2(5)9-3(6)8-1/h1-4H2;
InChIKeyOAQYULLFXIDATJ-UHFFFAOYSA-N
MW272.52 g/mol
LogP1.87
Rot. Bonds

About 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine

1,4-dioxane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 175183394) has the molecular formula C7H8Cl3N3O2 and a molecular weight of 272.52 g/mol. Its IUPAC name is 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name1,4-dioxane;2,4,6-trichloro-1,3,5-triazine
PubChem CID175183394
Molecular FormulaC7H8Cl3N3O2
Molecular Weight272.52 g/mol
Exact Mass270.97
IUPAC Name1,4-dioxane;2,4,6-trichloro-1,3,5-triazine
SMILESC1COCCO1.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H8O2.C3Cl3N3/c1-2-6-4-3-5-1;4-1-7-2(5)9-3(6)8-1/h1-4H2;
InChIKeyOAQYULLFXIDATJ-UHFFFAOYSA-N
XLogP1.87
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dichloro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 19026146
2,4-Dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
CID 11970432
1,3,5-Triazine, 2,2'-[oxybis(2,1-ethanediyloxy)]bis[4,6-dichloro-
CID 60057154
2,2'-[Ethane-1,2-diylbis(oxyethane-2,1-diyloxy)]bis(4,6-dichloro-1,3,5-triazine)
CID 60057163
2,4-Dichloro-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 71359147
2,4-Dichloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazine
CID 85807866
2,4-Dichloro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,5-triazine
CID 85808172
2,4-Dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
2-[2-[(4,6-Dichloro-1,3,5-triazin-2-yl)oxy]ethoxy]ethanol
CID 118921875
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite
CID 123187101
2-Chloro-4-(2-ethoxyethoxy)-6-methoxy-1,3,5-triazine
CID 62857962
2-Chloro-4-ethoxy-6-(2-ethoxyethoxy)-1,3,5-triazine
CID 62858187

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine (CID 175183394) is 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine is C1COCCO1.Clc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is OAQYULLFXIDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3Cl3N3/c1-2-6-4-3-5-1;4-1-7-2(5)9-3(6)8-1/h1-4H2;.
What are the key properties of 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine?
1,4-dioxane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 272.52 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 175183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).