diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane

CH7N5O2 — CID 173196842

IUPACdiamino-(amino-hydroxy-oxidoazaniumyl)iminomethane
SMILESNC(N)=N[N+](N)([O-])O
InChIInChI=1S/CH7N5O2/c2-1(3)5-6(4,7)8/h7H,4H2,(H4,2,3,5)
InChIKeyMJEBVARIAQHECT-UHFFFAOYSA-N
MW121.10 g/mol
LogP-2.25
Rot. Bonds1

About diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane

diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane (PubChem CID 173196842) has the molecular formula CH7N5O2 and a molecular weight of 121.10 g/mol. Its IUPAC name is diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane.

Molecular Properties

Compound Namediamino-(amino-hydroxy-oxidoazaniumyl)iminomethane
PubChem CID173196842
Molecular FormulaCH7N5O2
Molecular Weight121.10 g/mol
Exact Mass121.06
IUPAC Namediamino-(amino-hydroxy-oxidoazaniumyl)iminomethane
SMILESNC(N)=N[N+](N)([O-])O
InChIInChI=1S/CH7N5O2/c2-1(3)5-6(4,7)8/h7H,4H2,(H4,2,3,5)
InChIKeyMJEBVARIAQHECT-UHFFFAOYSA-N
XLogP-2.25
TPSA133.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane 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 diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane?
The IUPAC name of diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane (CID 173196842) is diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane.
What is the SMILES notation for diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane?
The canonical SMILES for diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane is NC(N)=N[N+](N)([O-])O.
What is the InChIKey of diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane?
The InChIKey is MJEBVARIAQHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH7N5O2/c2-1(3)5-6(4,7)8/h7H,4H2,(H4,2,3,5).
What are the key properties of diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane?
diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane has a molecular weight of 121.10 g/mol, XLogP of -2.25, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(amino-hydroxy-oxidoazaniumyl)iminomethane is sourced from PubChem (CID 173196842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).