methylaminomethanetriol;hydrate;hydrochloride

C2H10ClNO4 — CID 141093411

IUPACmethylaminomethanetriol;hydrate;hydrochloride
SMILESCNC(O)(O)O.Cl.O
InChIInChI=1S/C2H7NO3.ClH.H2O/c1-3-2(4,5)6;;/h3-6H,1H3;1H;1H2
InChIKeyRKVHCVSCOWIZKT-UHFFFAOYSA-N
MW147.56 g/mol
LogP-2.61
Rot. Bonds1

About methylaminomethanetriol;hydrate;hydrochloride

methylaminomethanetriol;hydrate;hydrochloride (PubChem CID 141093411) has the molecular formula C2H10ClNO4 and a molecular weight of 147.56 g/mol. Its IUPAC name is methylaminomethanetriol;hydrate;hydrochloride.

Molecular Properties

Compound Namemethylaminomethanetriol;hydrate;hydrochloride
PubChem CID141093411
Molecular FormulaC2H10ClNO4
Molecular Weight147.56 g/mol
Exact Mass147.03
IUPAC Namemethylaminomethanetriol;hydrate;hydrochloride
SMILESCNC(O)(O)O.Cl.O
InChIInChI=1S/C2H7NO3.ClH.H2O/c1-3-2(4,5)6;;/h3-6H,1H3;1H;1H2
InChIKeyRKVHCVSCOWIZKT-UHFFFAOYSA-N
XLogP-2.61
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 5-2.61
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;hydrate;hydrochloride?
The IUPAC name of methylaminomethanetriol;hydrate;hydrochloride (CID 141093411) is methylaminomethanetriol;hydrate;hydrochloride.
What is the SMILES notation for methylaminomethanetriol;hydrate;hydrochloride?
The canonical SMILES for methylaminomethanetriol;hydrate;hydrochloride is CNC(O)(O)O.Cl.O.
What is the InChIKey of methylaminomethanetriol;hydrate;hydrochloride?
The InChIKey is RKVHCVSCOWIZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.ClH.H2O/c1-3-2(4,5)6;;/h3-6H,1H3;1H;1H2.
What are the key properties of methylaminomethanetriol;hydrate;hydrochloride?
methylaminomethanetriol;hydrate;hydrochloride has a molecular weight of 147.56 g/mol, XLogP of -2.61, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanetriol;hydrate;hydrochloride is sourced from PubChem (CID 141093411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).