2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine

C11H18ClN3O2 — CID 22590466

IUPAC2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine
SMILESCC(C)COc1nc(Cl)nc(OCC(C)C)n1
InChIInChI=1S/C11H18ClN3O2/c1-7(2)5-16-10-13-9(12)14-11(15-10)17-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCNAWBCQRQABQNV-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.59
Rot. Bonds6

About 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine

2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine (PubChem CID 22590466) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine
PubChem CID22590466
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine
SMILESCC(C)COc1nc(Cl)nc(OCC(C)C)n1
InChIInChI=1S/C11H18ClN3O2/c1-7(2)5-16-10-13-9(12)14-11(15-10)17-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCNAWBCQRQABQNV-UHFFFAOYSA-N
XLogP2.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine (CID 22590466) is 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine is CC(C)COc1nc(Cl)nc(OCC(C)C)n1.
What is the InChIKey of 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine?
The InChIKey is CNAWBCQRQABQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-7(2)5-16-10-13-9(12)14-11(15-10)17-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine?
2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine has a molecular weight of 259.74 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(2-methylpropoxy)-1,3,5-triazine is sourced from PubChem (CID 22590466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).