methylaminomethanetriol;tetrahydrochloride

C2H11Cl4NO3 — CID 141093375

IUPACmethylaminomethanetriol;tetrahydrochloride
SMILESCNC(O)(O)O.Cl.Cl.Cl.Cl
InChIInChI=1S/C2H7NO3.4ClH/c1-3-2(4,5)6;;;;/h3-6H,1H3;4*1H
InChIKeyJWBHQSKFWKPHBH-UHFFFAOYSA-N
MW238.93 g/mol
LogP-0.52
Rot. Bonds1

About methylaminomethanetriol;tetrahydrochloride

methylaminomethanetriol;tetrahydrochloride (PubChem CID 141093375) has the molecular formula C2H11Cl4NO3 and a molecular weight of 238.93 g/mol. Its IUPAC name is methylaminomethanetriol;tetrahydrochloride.

Molecular Properties

Compound Namemethylaminomethanetriol;tetrahydrochloride
PubChem CID141093375
Molecular FormulaC2H11Cl4NO3
Molecular Weight238.93 g/mol
Exact Mass236.95
IUPAC Namemethylaminomethanetriol;tetrahydrochloride
SMILESCNC(O)(O)O.Cl.Cl.Cl.Cl
InChIInChI=1S/C2H7NO3.4ClH/c1-3-2(4,5)6;;;;/h3-6H,1H3;4*1H
InChIKeyJWBHQSKFWKPHBH-UHFFFAOYSA-N
XLogP-0.52
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.93
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylaminomethanetriol;tetrahydrochloride?
The IUPAC name of methylaminomethanetriol;tetrahydrochloride (CID 141093375) is methylaminomethanetriol;tetrahydrochloride.
What is the SMILES notation for methylaminomethanetriol;tetrahydrochloride?
The canonical SMILES for methylaminomethanetriol;tetrahydrochloride is CNC(O)(O)O.Cl.Cl.Cl.Cl.
What is the InChIKey of methylaminomethanetriol;tetrahydrochloride?
The InChIKey is JWBHQSKFWKPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.4ClH/c1-3-2(4,5)6;;;;/h3-6H,1H3;4*1H.
What are the key properties of methylaminomethanetriol;tetrahydrochloride?
methylaminomethanetriol;tetrahydrochloride has a molecular weight of 238.93 g/mol, XLogP of -0.52, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanetriol;tetrahydrochloride is sourced from PubChem (CID 141093375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).