N'-hydroxyethanimidamide;hydrochloride

C2H7ClN2O — CID 5487680

IUPACN'-hydroxyethanimidamide;hydrochloride
SMILESC/C(N)=N/O.Cl
InChIInChI=1S/C2H6N2O.ClH/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H
InChIKeyYFDYEHIAUKXEDK-UHFFFAOYSA-N
MW110.54 g/mol
LogP0.17
Rot. Bonds

About N'-hydroxyethanimidamide;hydrochloride

N'-hydroxyethanimidamide;hydrochloride (PubChem CID 5487680) has the molecular formula C2H7ClN2O and a molecular weight of 110.54 g/mol. Its IUPAC name is N'-hydroxyethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxyethanimidamide;hydrochloride
PubChem CID5487680
Molecular FormulaC2H7ClN2O
Molecular Weight110.54 g/mol
Exact Mass110.02
IUPAC NameN'-hydroxyethanimidamide;hydrochloride
SMILESC/C(N)=N/O.Cl
InChIInChI=1S/C2H6N2O.ClH/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H
InChIKeyYFDYEHIAUKXEDK-UHFFFAOYSA-N
XLogP0.17
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.54
LogP ≤ 50.17
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'}

Analyze N'-hydroxyethanimidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxyethanimidamide;hydrochloride?
The IUPAC name of N'-hydroxyethanimidamide;hydrochloride (CID 5487680) is N'-hydroxyethanimidamide;hydrochloride.
What is the SMILES notation for N'-hydroxyethanimidamide;hydrochloride?
The canonical SMILES for N'-hydroxyethanimidamide;hydrochloride is C/C(N)=N/O.Cl.
What is the InChIKey of N'-hydroxyethanimidamide;hydrochloride?
The InChIKey is YFDYEHIAUKXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O.ClH/c1-2(3)4-5;/h5H,1H3,(H2,3,4);1H.
What are the key properties of N'-hydroxyethanimidamide;hydrochloride?
N'-hydroxyethanimidamide;hydrochloride has a molecular weight of 110.54 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxyethanimidamide;hydrochloride is sourced from PubChem (CID 5487680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).