2,2,2-trideuterio-N'-hydroxyethanimidamide

C2H6N2O — CID 167727876

IUPAC2,2,2-trideuterio-N'-hydroxyethanimidamide
SMILES[2H]C([2H])([2H])/C(N)=N/O
InChIInChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)/i1D3
InChIKeyAEXITZJSLGALNH-FIBGUPNXSA-N
MW77.10 g/mol
LogP-0.25
Rot. Bonds1

About 2,2,2-trideuterio-N'-hydroxyethanimidamide

2,2,2-trideuterio-N'-hydroxyethanimidamide (PubChem CID 167727876) has the molecular formula C2H6N2O and a molecular weight of 77.10 g/mol. Its IUPAC name is 2,2,2-trideuterio-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2,2,2-trideuterio-N'-hydroxyethanimidamide
PubChem CID167727876
Molecular FormulaC2H6N2O
Molecular Weight77.10 g/mol
Exact Mass77.07
IUPAC Name2,2,2-trideuterio-N'-hydroxyethanimidamide
SMILES[2H]C([2H])([2H])/C(N)=N/O
InChIInChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)/i1D3
InChIKeyAEXITZJSLGALNH-FIBGUPNXSA-N
XLogP-0.25
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-N'-hydroxyethanimidamide?
The IUPAC name of 2,2,2-trideuterio-N'-hydroxyethanimidamide (CID 167727876) is 2,2,2-trideuterio-N'-hydroxyethanimidamide.
What is the SMILES notation for 2,2,2-trideuterio-N'-hydroxyethanimidamide?
The canonical SMILES for 2,2,2-trideuterio-N'-hydroxyethanimidamide is [2H]C([2H])([2H])/C(N)=N/O.
What is the InChIKey of 2,2,2-trideuterio-N'-hydroxyethanimidamide?
The InChIKey is AEXITZJSLGALNH-FIBGUPNXSA-N. The full InChI is InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)/i1D3.
What are the key properties of 2,2,2-trideuterio-N'-hydroxyethanimidamide?
2,2,2-trideuterio-N'-hydroxyethanimidamide has a molecular weight of 77.10 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-N'-hydroxyethanimidamide is sourced from PubChem (CID 167727876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).