methylaminomethanetriol;dihydrochloride

C2H9Cl2NO3 — CID 166068636

IUPACmethylaminomethanetriol;dihydrochloride
SMILESCNC(O)(O)O.Cl.Cl
InChIInChI=1S/C2H7NO3.2ClH/c1-3-2(4,5)6;;/h3-6H,1H3;2*1H
InChIKeyARSVUQAPRTWZPJ-UHFFFAOYSA-N
MW166.00 g/mol
LogP-1.36
Rot. Bonds1

About methylaminomethanetriol;dihydrochloride

methylaminomethanetriol;dihydrochloride (PubChem CID 166068636) has the molecular formula C2H9Cl2NO3 and a molecular weight of 166.00 g/mol. Its IUPAC name is methylaminomethanetriol;dihydrochloride.

Molecular Properties

Compound Namemethylaminomethanetriol;dihydrochloride
PubChem CID166068636
Molecular FormulaC2H9Cl2NO3
Molecular Weight166.00 g/mol
Exact Mass165.00
IUPAC Namemethylaminomethanetriol;dihydrochloride
SMILESCNC(O)(O)O.Cl.Cl
InChIInChI=1S/C2H7NO3.2ClH/c1-3-2(4,5)6;;/h3-6H,1H3;2*1H
InChIKeyARSVUQAPRTWZPJ-UHFFFAOYSA-N
XLogP-1.36
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.00
LogP ≤ 5-1.36
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;dihydrochloride?
The IUPAC name of methylaminomethanetriol;dihydrochloride (CID 166068636) is methylaminomethanetriol;dihydrochloride.
What is the SMILES notation for methylaminomethanetriol;dihydrochloride?
The canonical SMILES for methylaminomethanetriol;dihydrochloride is CNC(O)(O)O.Cl.Cl.
What is the InChIKey of methylaminomethanetriol;dihydrochloride?
The InChIKey is ARSVUQAPRTWZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.2ClH/c1-3-2(4,5)6;;/h3-6H,1H3;2*1H.
What are the key properties of methylaminomethanetriol;dihydrochloride?
methylaminomethanetriol;dihydrochloride has a molecular weight of 166.00 g/mol, XLogP of -1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanetriol;dihydrochloride is sourced from PubChem (CID 166068636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).