sodium;methylaminomethanetriol;chloride

C2H7ClNNaO3 — CID 174720102

IUPACsodium;methylaminomethanetriol;chloride
SMILESCNC(O)(O)O.[Cl-].[Na+]
InChIInChI=1S/C2H7NO3.ClH.Na/c1-3-2(4,5)6;;/h3-6H,1H3;1H;/q;;+1/p-1
InChIKeyDVKAUHYCLKZLDF-UHFFFAOYSA-M
MW151.52 g/mol
LogP-8.20
Rot. Bonds1

About sodium;methylaminomethanetriol;chloride

sodium;methylaminomethanetriol;chloride (PubChem CID 174720102) has the molecular formula C2H7ClNNaO3 and a molecular weight of 151.52 g/mol. Its IUPAC name is sodium;methylaminomethanetriol;chloride.

Molecular Properties

Compound Namesodium;methylaminomethanetriol;chloride
PubChem CID174720102
Molecular FormulaC2H7ClNNaO3
Molecular Weight151.52 g/mol
Exact Mass151.00
IUPAC Namesodium;methylaminomethanetriol;chloride
SMILESCNC(O)(O)O.[Cl-].[Na+]
InChIInChI=1S/C2H7NO3.ClH.Na/c1-3-2(4,5)6;;/h3-6H,1H3;1H;/q;;+1/p-1
InChIKeyDVKAUHYCLKZLDF-UHFFFAOYSA-M
XLogP-8.20
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.52
LogP ≤ 5-8.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze sodium;methylaminomethanetriol;chloride 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 sodium;methylaminomethanetriol;chloride?
The IUPAC name of sodium;methylaminomethanetriol;chloride (CID 174720102) is sodium;methylaminomethanetriol;chloride.
What is the SMILES notation for sodium;methylaminomethanetriol;chloride?
The canonical SMILES for sodium;methylaminomethanetriol;chloride is CNC(O)(O)O.[Cl-].[Na+].
What is the InChIKey of sodium;methylaminomethanetriol;chloride?
The InChIKey is DVKAUHYCLKZLDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3.ClH.Na/c1-3-2(4,5)6;;/h3-6H,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;methylaminomethanetriol;chloride?
sodium;methylaminomethanetriol;chloride has a molecular weight of 151.52 g/mol, XLogP of -8.20, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methylaminomethanetriol;chloride is sourced from PubChem (CID 174720102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).