3-(aminodiazenyl)propan-1-ol

C3H9N3O — CID 89338855

IUPAC3-(aminodiazenyl)propan-1-ol
SMILESN/N=N/CCCO
InChIInChI=1S/C3H9N3O/c4-6-5-2-1-3-7/h7H,1-3H2,(H2,4,5)
InChIKeyCEHIAWFLIURJQZ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.31
Rot. Bonds3

About 3-(aminodiazenyl)propan-1-ol

3-(aminodiazenyl)propan-1-ol (PubChem CID 89338855) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-(aminodiazenyl)propan-1-ol.

Molecular Properties

Compound Name3-(aminodiazenyl)propan-1-ol
PubChem CID89338855
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name3-(aminodiazenyl)propan-1-ol
SMILESN/N=N/CCCO
InChIInChI=1S/C3H9N3O/c4-6-5-2-1-3-7/h7H,1-3H2,(H2,4,5)
InChIKeyCEHIAWFLIURJQZ-UHFFFAOYSA-N
XLogP-0.31
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(aminodiazenyl)propan-1-ol 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-(aminodiazenyl)propan-1-ol?
The IUPAC name of 3-(aminodiazenyl)propan-1-ol (CID 89338855) is 3-(aminodiazenyl)propan-1-ol.
What is the SMILES notation for 3-(aminodiazenyl)propan-1-ol?
The canonical SMILES for 3-(aminodiazenyl)propan-1-ol is N/N=N/CCCO.
What is the InChIKey of 3-(aminodiazenyl)propan-1-ol?
The InChIKey is CEHIAWFLIURJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c4-6-5-2-1-3-7/h7H,1-3H2,(H2,4,5).
What are the key properties of 3-(aminodiazenyl)propan-1-ol?
3-(aminodiazenyl)propan-1-ol has a molecular weight of 103.12 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminodiazenyl)propan-1-ol is sourced from PubChem (CID 89338855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).