3-amino-N'-hydroxybenzenecarboximidamide

C7H9N3O — CID 16773849

IUPAC3-amino-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(N)c1
InChIInChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
InChIKeyOPGWBTKZYLRPRW-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.36
Rot. Bonds1

About 3-amino-N'-hydroxybenzenecarboximidamide

3-amino-N'-hydroxybenzenecarboximidamide (PubChem CID 16773849) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-amino-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-N'-hydroxybenzenecarboximidamide
PubChem CID16773849
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-amino-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(N)c1
InChIInChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
InChIKeyOPGWBTKZYLRPRW-UHFFFAOYSA-N
XLogP0.36
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-amino-N'-hydroxybenzenecarboximidamide 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 3-amino-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-amino-N'-hydroxybenzenecarboximidamide (CID 16773849) is 3-amino-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-amino-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-amino-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N'-hydroxybenzenecarboximidamide?
The InChIKey is OPGWBTKZYLRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10).
What are the key properties of 3-amino-N'-hydroxybenzenecarboximidamide?
3-amino-N'-hydroxybenzenecarboximidamide has a molecular weight of 151.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 16773849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).