methylaminomethanetriol;trihydrochloride

C2H10Cl3NO3 — CID 141140028

IUPACmethylaminomethanetriol;trihydrochloride
SMILESCNC(O)(O)O.Cl.Cl.Cl
InChIInChI=1S/C2H7NO3.3ClH/c1-3-2(4,5)6;;;/h3-6H,1H3;3*1H
InChIKeyXISMPCCVELYQFP-UHFFFAOYSA-N
MW202.47 g/mol
LogP-0.94
Rot. Bonds1

About methylaminomethanetriol;trihydrochloride

methylaminomethanetriol;trihydrochloride (PubChem CID 141140028) has the molecular formula C2H10Cl3NO3 and a molecular weight of 202.47 g/mol. Its IUPAC name is methylaminomethanetriol;trihydrochloride.

Molecular Properties

Compound Namemethylaminomethanetriol;trihydrochloride
PubChem CID141140028
Molecular FormulaC2H10Cl3NO3
Molecular Weight202.47 g/mol
Exact Mass200.97
IUPAC Namemethylaminomethanetriol;trihydrochloride
SMILESCNC(O)(O)O.Cl.Cl.Cl
InChIInChI=1S/C2H7NO3.3ClH/c1-3-2(4,5)6;;;/h3-6H,1H3;3*1H
InChIKeyXISMPCCVELYQFP-UHFFFAOYSA-N
XLogP-0.94
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.47
LogP ≤ 5-0.94
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;trihydrochloride?
The IUPAC name of methylaminomethanetriol;trihydrochloride (CID 141140028) is methylaminomethanetriol;trihydrochloride.
What is the SMILES notation for methylaminomethanetriol;trihydrochloride?
The canonical SMILES for methylaminomethanetriol;trihydrochloride is CNC(O)(O)O.Cl.Cl.Cl.
What is the InChIKey of methylaminomethanetriol;trihydrochloride?
The InChIKey is XISMPCCVELYQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.3ClH/c1-3-2(4,5)6;;;/h3-6H,1H3;3*1H.
What are the key properties of methylaminomethanetriol;trihydrochloride?
methylaminomethanetriol;trihydrochloride has a molecular weight of 202.47 g/mol, XLogP of -0.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanetriol;trihydrochloride is sourced from PubChem (CID 141140028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).