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

C11H21N4O2+ — CID 18420004

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium
SMILESCC[N+](CC)(CC)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H21N4O2/c1-6-15(7-2,8-3)9-12-10(16-4)14-11(13-9)17-5/h6-8H2,1-5H3/q+1
InChIKeyYTEOOTJVNSYBQF-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.26
Rot. Bonds6

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

(4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium (PubChem CID 18420004) has the molecular formula C11H21N4O2+ and a molecular weight of 241.31 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium
PubChem CID18420004
Molecular FormulaC11H21N4O2+
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium
SMILESCC[N+](CC)(CC)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H21N4O2/c1-6-15(7-2,8-3)9-12-10(16-4)14-11(13-9)17-5/h6-8H2,1-5H3/q+1
InChIKeyYTEOOTJVNSYBQF-UHFFFAOYSA-N
XLogP1.26
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2,4,6-tris[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxymethoxy]-1,3,5-triazine
CID 170244173
2-(iodomethyl)-4,6-dimethoxy-1,3,5-triazine
CID 89369379
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)propan-2-ol
CID 63201571
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
CID 94830323
cyclohexyl-(4,6-dimethoxy-1,3,5-triazin-2-yl)-dimethylazanium
CID 18420112
2,4-dimethoxy-6-octyl-1,3,5-triazine
CID 140898891
2-[[4,6-bis[2-(triethylazaniumyl)ethoxy]-1,3,5-triazin-2-yl]oxy]ethyl-triethylazanium triiodide
CID 24847157
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-(4-chlorobutan-2-ylsulfanyl)-4,6-dimethoxy-1,3,5-triazine
CID 66138773
2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
CID 23247536
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
CID 62861763
2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
CID 164725212

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium (CID 18420004) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium is CC[N+](CC)(CC)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium?
The InChIKey is YTEOOTJVNSYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N4O2/c1-6-15(7-2,8-3)9-12-10(16-4)14-11(13-9)17-5/h6-8H2,1-5H3/q+1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-triethylazanium has a molecular weight of 241.31 g/mol, XLogP of 1.26, 6 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)-triethylazanium is sourced from PubChem (CID 18420004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).