1-N'-hydroxy-2-N'-oxidoethanediimidamide

C2H5N4O2- — CID 135698683

IUPAC1-N'-hydroxy-2-N'-oxidoethanediimidamide
SMILESNC(=N\[O-])/C(N)=N/O
InChIInChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)/p-1
InChIKeyBFXWFQSYMVKOCJ-UHFFFAOYSA-M
MW117.09 g/mol
LogP-1.41
Rot. Bonds

About 1-N'-hydroxy-2-N'-oxidoethanediimidamide

1-N'-hydroxy-2-N'-oxidoethanediimidamide (PubChem CID 135698683) has the molecular formula C2H5N4O2- and a molecular weight of 117.09 g/mol. Its IUPAC name is 1-N'-hydroxy-2-N'-oxidoethanediimidamide.

Molecular Properties

Compound Name1-N'-hydroxy-2-N'-oxidoethanediimidamide
PubChem CID135698683
Molecular FormulaC2H5N4O2-
Molecular Weight117.09 g/mol
Exact Mass117.04
IUPAC Name1-N'-hydroxy-2-N'-oxidoethanediimidamide
SMILESNC(=N\[O-])/C(N)=N/O
InChIInChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)/p-1
InChIKeyBFXWFQSYMVKOCJ-UHFFFAOYSA-M
XLogP-1.41
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.09
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N'-hydroxy-2-N'-oxidoethanediimidamide with MolForge

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

Launch Full Analysis

Related Compounds

bis(1-N',2-N'-dihydroxyethanediimidamide);platinum
CID 135460051
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
(2E,3E)-N'-hydroxy-2,3-bis(hydroxyimino)butanimidamide
CID 135538007
CID 76559623
CID 76559623
2-hydroxyguanidine;sulfuric acid;hydrate
CID 86674791
CID 171370380
CID 171370380
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
azanide;N'-hydroxyethanimidamide;tetrakis(yttrium)
CID 58774840
2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide
CID 137121555
2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
CID 76944277
calcium bis(hydroxy(oxido)diazene)
CID 173422597
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852

Frequently Asked Questions

What is the IUPAC name of 1-N'-hydroxy-2-N'-oxidoethanediimidamide?
The IUPAC name of 1-N'-hydroxy-2-N'-oxidoethanediimidamide (CID 135698683) is 1-N'-hydroxy-2-N'-oxidoethanediimidamide.
What is the SMILES notation for 1-N'-hydroxy-2-N'-oxidoethanediimidamide?
The canonical SMILES for 1-N'-hydroxy-2-N'-oxidoethanediimidamide is NC(=N\[O-])/C(N)=N/O.
What is the InChIKey of 1-N'-hydroxy-2-N'-oxidoethanediimidamide?
The InChIKey is BFXWFQSYMVKOCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)/p-1.
What are the key properties of 1-N'-hydroxy-2-N'-oxidoethanediimidamide?
1-N'-hydroxy-2-N'-oxidoethanediimidamide has a molecular weight of 117.09 g/mol, XLogP of -1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-hydroxy-2-N'-oxidoethanediimidamide is sourced from PubChem (CID 135698683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).