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

C11H19N3O2 — CID 86053152

IUPAC2-hexyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h4-8H2,1-3H3
InChIKeyIXXWKJULOYPQFV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds7

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

2-hexyl-4,6-dimethoxy-1,3,5-triazine (PubChem CID 86053152) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-hexyl-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-hexyl-4,6-dimethoxy-1,3,5-triazine
PubChem CID86053152
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-hexyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCCCCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h4-8H2,1-3H3
InChIKeyIXXWKJULOYPQFV-UHFFFAOYSA-N
XLogP2.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-hexyl-4,6-dimethoxy-1,3,5-triazine (CID 86053152) is 2-hexyl-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-hexyl-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-hexyl-4,6-dimethoxy-1,3,5-triazine is CCCCCCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-hexyl-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is IXXWKJULOYPQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h4-8H2,1-3H3.
What are the key properties of 2-hexyl-4,6-dimethoxy-1,3,5-triazine?
2-hexyl-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 225.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 86053152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).