4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine

C11H17ClN4 — CID 83241557

IUPAC4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCCCC2)n1
InChIInChI=1S/C11H17ClN4/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyYRSUZYTXLXFFOV-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine

4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine (PubChem CID 83241557) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
PubChem CID83241557
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCCCC2)n1
InChIInChI=1S/C11H17ClN4/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyYRSUZYTXLXFFOV-UHFFFAOYSA-N
XLogP2.94
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine (CID 83241557) is 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCCCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine?
The InChIKey is YRSUZYTXLXFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine?
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine has a molecular weight of 240.74 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).