methanamine;methylaminomethanetriol

C3H12N2O3 — CID 174833713

IUPACmethanamine;methylaminomethanetriol
SMILESCN.CNC(O)(O)O
InChIInChI=1S/C2H7NO3.CH5N/c1-3-2(4,5)6;1-2/h3-6H,1H3;2H2,1H3
InChIKeyDOWAGIAAVSFGTD-UHFFFAOYSA-N
MW124.14 g/mol
LogP-2.63
Rot. Bonds1

About methanamine;methylaminomethanetriol

methanamine;methylaminomethanetriol (PubChem CID 174833713) has the molecular formula C3H12N2O3 and a molecular weight of 124.14 g/mol. Its IUPAC name is methanamine;methylaminomethanetriol.

Molecular Properties

Compound Namemethanamine;methylaminomethanetriol
PubChem CID174833713
Molecular FormulaC3H12N2O3
Molecular Weight124.14 g/mol
Exact Mass124.08
IUPAC Namemethanamine;methylaminomethanetriol
SMILESCN.CNC(O)(O)O
InChIInChI=1S/C2H7NO3.CH5N/c1-3-2(4,5)6;1-2/h3-6H,1H3;2H2,1H3
InChIKeyDOWAGIAAVSFGTD-UHFFFAOYSA-N
XLogP-2.63
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 methanamine;methylaminomethanetriol?
The IUPAC name of methanamine;methylaminomethanetriol (CID 174833713) is methanamine;methylaminomethanetriol.
What is the SMILES notation for methanamine;methylaminomethanetriol?
The canonical SMILES for methanamine;methylaminomethanetriol is CN.CNC(O)(O)O.
What is the InChIKey of methanamine;methylaminomethanetriol?
The InChIKey is DOWAGIAAVSFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3.CH5N/c1-3-2(4,5)6;1-2/h3-6H,1H3;2H2,1H3.
What are the key properties of methanamine;methylaminomethanetriol?
methanamine;methylaminomethanetriol has a molecular weight of 124.14 g/mol, XLogP of -2.63, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methylaminomethanetriol is sourced from PubChem (CID 174833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).