1-azidopropane-1,3-diol

C3H7N3O2 — CID 19751096

IUPAC1-azidopropane-1,3-diol
SMILES[N-]=[N+]=NC(O)CCO
InChIInChI=1S/C3H7N3O2/c4-6-5-3(8)1-2-7/h3,7-8H,1-2H2
InChIKeyHCVBBWBVYQFSLE-UHFFFAOYSA-N
MW117.11 g/mol
LogP-0.00
Rot. Bonds3

About 1-azidopropane-1,3-diol

1-azidopropane-1,3-diol (PubChem CID 19751096) has the molecular formula C3H7N3O2 and a molecular weight of 117.11 g/mol. Its IUPAC name is 1-azidopropane-1,3-diol.

Molecular Properties

Compound Name1-azidopropane-1,3-diol
PubChem CID19751096
Molecular FormulaC3H7N3O2
Molecular Weight117.11 g/mol
Exact Mass117.05
IUPAC Name1-azidopropane-1,3-diol
SMILES[N-]=[N+]=NC(O)CCO
InChIInChI=1S/C3H7N3O2/c4-6-5-3(8)1-2-7/h3,7-8H,1-2H2
InChIKeyHCVBBWBVYQFSLE-UHFFFAOYSA-N
XLogP-0.00
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azidopropane-1,3-diol 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 1-azidopropane-1,3-diol?
The IUPAC name of 1-azidopropane-1,3-diol (CID 19751096) is 1-azidopropane-1,3-diol.
What is the SMILES notation for 1-azidopropane-1,3-diol?
The canonical SMILES for 1-azidopropane-1,3-diol is [N-]=[N+]=NC(O)CCO.
What is the InChIKey of 1-azidopropane-1,3-diol?
The InChIKey is HCVBBWBVYQFSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-6-5-3(8)1-2-7/h3,7-8H,1-2H2.
What are the key properties of 1-azidopropane-1,3-diol?
1-azidopropane-1,3-diol has a molecular weight of 117.11 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidopropane-1,3-diol is sourced from PubChem (CID 19751096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).