bis(2-hydroxyethyl)-methyl-tritioazanium

C5H14NO2+ — CID 58606981

IUPACbis(2-hydroxyethyl)-methyl-tritioazanium
SMILES[3H][N+](C)(CCO)CCO
InChIInChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3/p+1/i/hT
InChIKeyCRVGTESFCCXCTH-MNYXATJNSA-O
MW122.18 g/mol
LogP-2.51
Rot. Bonds4

About bis(2-hydroxyethyl)-methyl-tritioazanium

bis(2-hydroxyethyl)-methyl-tritioazanium (PubChem CID 58606981) has the molecular formula C5H14NO2+ and a molecular weight of 122.18 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-methyl-tritioazanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-methyl-tritioazanium
PubChem CID58606981
Molecular FormulaC5H14NO2+
Molecular Weight122.18 g/mol
Exact Mass122.11
IUPAC Namebis(2-hydroxyethyl)-methyl-tritioazanium
SMILES[3H][N+](C)(CCO)CCO
InChIInChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3/p+1/i/hT
InChIKeyCRVGTESFCCXCTH-MNYXATJNSA-O
XLogP-2.51
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.18
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze bis(2-hydroxyethyl)-methyl-tritioazanium 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

azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
2-hydroxyethyl(dimethyl)azanium formate
CID 87203804
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
tris(2-hydroxyethyl)azanium iodide
CID 87105413
CID 22991878
CID 22991878
bis(2-hydroxyethyl)-methylazanium;2-oxopropanoate
CID 163639194
2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
CID 141048254
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
2-hydroxyethyl-methyl-(2-methylbutyl)azanium
CID 21138852
2-hydroxyethylazanium;trimethylazanium;dichloride
CID 172796747

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-methyl-tritioazanium?
The IUPAC name of bis(2-hydroxyethyl)-methyl-tritioazanium (CID 58606981) is bis(2-hydroxyethyl)-methyl-tritioazanium.
What is the SMILES notation for bis(2-hydroxyethyl)-methyl-tritioazanium?
The canonical SMILES for bis(2-hydroxyethyl)-methyl-tritioazanium is [3H][N+](C)(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-methyl-tritioazanium?
The InChIKey is CRVGTESFCCXCTH-MNYXATJNSA-O. The full InChI is InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3/p+1/i/hT.
What are the key properties of bis(2-hydroxyethyl)-methyl-tritioazanium?
bis(2-hydroxyethyl)-methyl-tritioazanium has a molecular weight of 122.18 g/mol, XLogP of -2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-methyl-tritioazanium is sourced from PubChem (CID 58606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).