methylaminomethanetriol;hydrochloride

C2H8ClNO3 — CID 22137228

IUPACmethylaminomethanetriol;hydrochloride
SMILESCNC(O)(O)O.Cl
InChIInChI=1S/C2H7NO3.ClH/c1-3-2(4,5)6;/h3-6H,1H3;1H
InChIKeyDEQXHPXOGUSHDX-UHFFFAOYSA-N
MW129.54 g/mol
LogP-1.78
Rot. Bonds1

About methylaminomethanetriol;hydrochloride

methylaminomethanetriol;hydrochloride (PubChem CID 22137228) has the molecular formula C2H8ClNO3 and a molecular weight of 129.54 g/mol. Its IUPAC name is methylaminomethanetriol;hydrochloride.

Molecular Properties

Compound Namemethylaminomethanetriol;hydrochloride
PubChem CID22137228
Molecular FormulaC2H8ClNO3
Molecular Weight129.54 g/mol
Exact Mass129.02
IUPAC Namemethylaminomethanetriol;hydrochloride
SMILESCNC(O)(O)O.Cl
InChIInChI=1S/C2H7NO3.ClH/c1-3-2(4,5)6;/h3-6H,1H3;1H
InChIKeyDEQXHPXOGUSHDX-UHFFFAOYSA-N
XLogP-1.78
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.54
LogP ≤ 5-1.78
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;hydrochloride?
The IUPAC name of methylaminomethanetriol;hydrochloride (CID 22137228) is methylaminomethanetriol;hydrochloride.
What is the SMILES notation for methylaminomethanetriol;hydrochloride?
The canonical SMILES for methylaminomethanetriol;hydrochloride is CNC(O)(O)O.Cl.
What is the InChIKey of methylaminomethanetriol;hydrochloride?
The InChIKey is DEQXHPXOGUSHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.ClH/c1-3-2(4,5)6;/h3-6H,1H3;1H.
What are the key properties of methylaminomethanetriol;hydrochloride?
methylaminomethanetriol;hydrochloride has a molecular weight of 129.54 g/mol, XLogP of -1.78, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanetriol;hydrochloride is sourced from PubChem (CID 22137228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).