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

C8H15ClN4O2 — CID 13141331

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESCOc1nc(OC)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C8H15N4O2.ClH/c1-12(2,3)6-9-7(13-4)11-8(10-6)14-5;/h1-5H3;1H/q+1;/p-1
InChIKeyJUZRGPJNDNWEKH-UHFFFAOYSA-M
MW234.69 g/mol
LogP-2.91
Rot. Bonds3

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

(4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride (PubChem CID 13141331) has the molecular formula C8H15ClN4O2 and a molecular weight of 234.69 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride
PubChem CID13141331
Molecular FormulaC8H15ClN4O2
Molecular Weight234.69 g/mol
Exact Mass234.09
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESCOc1nc(OC)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C8H15N4O2.ClH/c1-12(2,3)6-9-7(13-4)11-8(10-6)14-5;/h1-5H3;1H/q+1;/p-1
InChIKeyJUZRGPJNDNWEKH-UHFFFAOYSA-M
XLogP-2.91
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride (CID 13141331) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride is COc1nc(OC)nc([N+](C)(C)C)n1.[Cl-].
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The InChIKey is JUZRGPJNDNWEKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N4O2.ClH/c1-12(2,3)6-9-7(13-4)11-8(10-6)14-5;/h1-5H3;1H/q+1;/p-1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-trimethylazanium chloride has a molecular weight of 234.69 g/mol, XLogP of -2.91, 3 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)-trimethylazanium chloride is sourced from PubChem (CID 13141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).