2-hexyl-4,6-dimethyl-1,3,5-triazine

C11H19N3 — CID 118410366

IUPAC2-hexyl-4,6-dimethyl-1,3,5-triazine
SMILESCCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C11H19N3/c1-4-5-6-7-8-11-13-9(2)12-10(3)14-11/h4-8H2,1-3H3
InChIKeyWULMYDHPNNFSFG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.61
Rot. Bonds5

About 2-hexyl-4,6-dimethyl-1,3,5-triazine

2-hexyl-4,6-dimethyl-1,3,5-triazine (PubChem CID 118410366) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-hexyl-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-hexyl-4,6-dimethyl-1,3,5-triazine
PubChem CID118410366
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-hexyl-4,6-dimethyl-1,3,5-triazine
SMILESCCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C11H19N3/c1-4-5-6-7-8-11-13-9(2)12-10(3)14-11/h4-8H2,1-3H3
InChIKeyWULMYDHPNNFSFG-UHFFFAOYSA-N
XLogP2.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-hexyl-4,6-dimethyl-1,3,5-triazine (CID 118410366) is 2-hexyl-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-hexyl-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-hexyl-4,6-dimethyl-1,3,5-triazine is CCCCCCc1nc(C)nc(C)n1.
What is the InChIKey of 2-hexyl-4,6-dimethyl-1,3,5-triazine?
The InChIKey is WULMYDHPNNFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-7-8-11-13-9(2)12-10(3)14-11/h4-8H2,1-3H3.
What are the key properties of 2-hexyl-4,6-dimethyl-1,3,5-triazine?
2-hexyl-4,6-dimethyl-1,3,5-triazine has a molecular weight of 193.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 118410366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).