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

C8H9Cl2N3O — CID 130114697

IUPAC2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C8H9Cl2N3O/c9-7-11-6(12-8(10)13-7)5-1-3-14-4-2-5/h5H,1-4H2
InChIKeyBNDBATWSZBTLOY-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.07
Rot. Bonds1

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

2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine (PubChem CID 130114697) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine
PubChem CID130114697
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C8H9Cl2N3O/c9-7-11-6(12-8(10)13-7)5-1-3-14-4-2-5/h5H,1-4H2
InChIKeyBNDBATWSZBTLOY-UHFFFAOYSA-N
XLogP2.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.07
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-(oxan-4-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine (CID 130114697) is 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine is Clc1nc(Cl)nc(C2CCOCC2)n1.
What is the InChIKey of 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine?
The InChIKey is BNDBATWSZBTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c9-7-11-6(12-8(10)13-7)5-1-3-14-4-2-5/h5H,1-4H2.
What are the key properties of 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine?
2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine has a molecular weight of 234.09 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(oxan-4-yl)-1,3,5-triazine is sourced from PubChem (CID 130114697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).