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

C9H13Cl2N3O — CID 130206974

IUPAC2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine
SMILESCCCC(C)(C)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3
InChIKeyMEXJAIMAEALXGY-UHFFFAOYSA-N
MW250.13 g/mol
LogP3.14
Rot. Bonds4

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

2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine (PubChem CID 130206974) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine
PubChem CID130206974
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine
SMILESCCCC(C)(C)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3
InChIKeyMEXJAIMAEALXGY-UHFFFAOYSA-N
XLogP3.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine (CID 130206974) is 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine is CCCC(C)(C)Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine?
The InChIKey is MEXJAIMAEALXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-4-5-9(2,3)15-8-13-6(10)12-7(11)14-8/h4-5H2,1-3H3.
What are the key properties of 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine?
2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine has a molecular weight of 250.13 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-methylpentan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 130206974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).