2-cyclooctyl-1,3,5-triazine

C11H17N3 — CID 68552573

IUPAC2-cyclooctyl-1,3,5-triazine
SMILESc1ncnc(C2CCCCCCC2)n1
InChIInChI=1S/C11H17N3/c1-2-4-6-10(7-5-3-1)11-13-8-12-9-14-11/h8-10H,1-7H2
InChIKeyWALNBWFSURAVPN-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.70
Rot. Bonds1

About 2-cyclooctyl-1,3,5-triazine

2-cyclooctyl-1,3,5-triazine (PubChem CID 68552573) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-cyclooctyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclooctyl-1,3,5-triazine
PubChem CID68552573
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-cyclooctyl-1,3,5-triazine
SMILESc1ncnc(C2CCCCCCC2)n1
InChIInChI=1S/C11H17N3/c1-2-4-6-10(7-5-3-1)11-13-8-12-9-14-11/h8-10H,1-7H2
InChIKeyWALNBWFSURAVPN-UHFFFAOYSA-N
XLogP2.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-1,3,5-triazine?
The IUPAC name of 2-cyclooctyl-1,3,5-triazine (CID 68552573) is 2-cyclooctyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclooctyl-1,3,5-triazine?
The canonical SMILES for 2-cyclooctyl-1,3,5-triazine is c1ncnc(C2CCCCCCC2)n1.
What is the InChIKey of 2-cyclooctyl-1,3,5-triazine?
The InChIKey is WALNBWFSURAVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-6-10(7-5-3-1)11-13-8-12-9-14-11/h8-10H,1-7H2.
What are the key properties of 2-cyclooctyl-1,3,5-triazine?
2-cyclooctyl-1,3,5-triazine has a molecular weight of 191.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-1,3,5-triazine is sourced from PubChem (CID 68552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).