[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium

C11H19N4O4+ — CID 89223153

IUPAC[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCOC(=O)C[N+](C)(C)c1nc(CO)nc(CO)n1
InChIInChI=1S/C11H19N4O4/c1-4-19-10(18)5-15(2,3)11-13-8(6-16)12-9(7-17)14-11/h16-17H,4-7H2,1-3H3/q+1
InChIKeyHOJMYVXMNUTHRX-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.01
Rot. Bonds6

About [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium

[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium (PubChem CID 89223153) has the molecular formula C11H19N4O4+ and a molecular weight of 271.30 g/mol. Its IUPAC name is [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Name[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium
PubChem CID89223153
Molecular FormulaC11H19N4O4+
Molecular Weight271.30 g/mol
Exact Mass271.14
IUPAC Name[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCOC(=O)C[N+](C)(C)c1nc(CO)nc(CO)n1
InChIInChI=1S/C11H19N4O4/c1-4-19-10(18)5-15(2,3)11-13-8(6-16)12-9(7-17)14-11/h16-17H,4-7H2,1-3H3/q+1
InChIKeyHOJMYVXMNUTHRX-UHFFFAOYSA-N
XLogP-1.01
TPSA105.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-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-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The IUPAC name of [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium (CID 89223153) is [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The canonical SMILES for [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium is CCOC(=O)C[N+](C)(C)c1nc(CO)nc(CO)n1.
What is the InChIKey of [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The InChIKey is HOJMYVXMNUTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O4/c1-4-19-10(18)5-15(2,3)11-13-8(6-16)12-9(7-17)14-11/h16-17H,4-7H2,1-3H3/q+1.
What are the key properties of [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium?
[4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium has a molecular weight of 271.30 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]-(2-ethoxy-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 89223153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).