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

C8H11Cl2N3O — CID 62859406

IUPAC2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine
SMILESCC(C)CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3O/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3
InChIKeyHHHCVYGDDWXDIE-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.60
Rot. Bonds4

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

2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine (PubChem CID 62859406) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine
PubChem CID62859406
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine
SMILESCC(C)CCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3O/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3
InChIKeyHHHCVYGDDWXDIE-UHFFFAOYSA-N
XLogP2.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.60
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-(3-methylbutoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine (CID 62859406) is 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine is CC(C)CCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine?
The InChIKey is HHHCVYGDDWXDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine?
2,4-dichloro-6-(3-methylbutoxy)-1,3,5-triazine has a molecular weight of 236.10 g/mol, XLogP of 2.60, 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-(3-methylbutoxy)-1,3,5-triazine is sourced from PubChem (CID 62859406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).