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

C11H19N4O4+ — CID 58898170

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCOC(=O)C[N+](C)(C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19N4O4/c1-6-19-8(16)7-15(2,3)9-12-10(17-4)14-11(13-9)18-5/h6-7H2,1-5H3/q+1
InChIKeyBEZCQGIWFRCFEO-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.02
Rot. Bonds6

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

(4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium (PubChem CID 58898170) has the molecular formula C11H19N4O4+ and a molecular weight of 271.30 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium
PubChem CID58898170
Molecular FormulaC11H19N4O4+
Molecular Weight271.30 g/mol
Exact Mass271.14
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCOC(=O)C[N+](C)(C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19N4O4/c1-6-19-8(16)7-15(2,3)9-12-10(17-4)14-11(13-9)18-5/h6-7H2,1-5H3/q+1
InChIKeyBEZCQGIWFRCFEO-UHFFFAOYSA-N
XLogP0.02
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium (CID 58898170) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium is CCOC(=O)C[N+](C)(C)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The InChIKey is BEZCQGIWFRCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O4/c1-6-19-8(16)7-15(2,3)9-12-10(17-4)14-11(13-9)18-5/h6-7H2,1-5H3/q+1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium has a molecular weight of 271.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 58898170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).