(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium

C19H37N4O2+ — CID 153437824

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C19H37N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-23(2,3)17-20-18(24-4)22-19(21-17)25-5/h6-16H2,1-5H3/q+1
InChIKeyCAHQXMZLOGTRBK-UHFFFAOYSA-N
MW353.53 g/mol
LogP4.38
Rot. Bonds14

About (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium

(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium (PubChem CID 153437824) has the molecular formula C19H37N4O2+ and a molecular weight of 353.53 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium
PubChem CID153437824
Molecular FormulaC19H37N4O2+
Molecular Weight353.53 g/mol
Exact Mass353.29
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C19H37N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-23(2,3)17-20-18(24-4)22-19(21-17)25-5/h6-16H2,1-5H3/q+1
InChIKeyCAHQXMZLOGTRBK-UHFFFAOYSA-N
XLogP4.38
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium (CID 153437824) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium?
The InChIKey is CAHQXMZLOGTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-23(2,3)17-20-18(24-4)22-19(21-17)25-5/h6-16H2,1-5H3/q+1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium has a molecular weight of 353.53 g/mol, XLogP of 4.38, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-dodecyl-dimethylazanium is sourced from PubChem (CID 153437824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).