3-azidopropan-1-ol azide

C3H7N6O- — CID 159010495

IUPAC3-azidopropan-1-ol azide
SMILES[N-]=[N+]=NCCCO.[N-]=[N+]=[N-]
InChIInChI=1S/C3H7N3O.N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;/q;-1
InChIKeyJSKPTMDUUVXHLV-UHFFFAOYSA-N
MW143.13 g/mol
LogP1.55
Rot. Bonds3

About 3-azidopropan-1-ol azide

3-azidopropan-1-ol azide (PubChem CID 159010495) has the molecular formula C3H7N6O- and a molecular weight of 143.13 g/mol. Its IUPAC name is 3-azidopropan-1-ol azide.

Molecular Properties

Compound Name3-azidopropan-1-ol azide
PubChem CID159010495
Molecular FormulaC3H7N6O-
Molecular Weight143.13 g/mol
Exact Mass143.07
IUPAC Name3-azidopropan-1-ol azide
SMILES[N-]=[N+]=NCCCO.[N-]=[N+]=[N-]
InChIInChI=1S/C3H7N3O.N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;/q;-1
InChIKeyJSKPTMDUUVXHLV-UHFFFAOYSA-N
XLogP1.55
TPSA127.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-azidopropan-1-ol azide 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

3-Azidopropan-1-ol
CID 10996974
1,3-Diazidopropanol
CID 19391765
Azidopropanol
CID 54301593
4,5-dihydro-3H-pyrazol-3-ol
CID 70194089
3-Azido-2-fluoropropan-1-ol
CID 129985034
3-Diazenylpropan-1-ol
CID 152174
2,3-Diazidopropanol
CID 12916747
1-Azidopropane-1,3-diol
CID 19751096
3-(3-Hydroxypropyldiazenyl)propan-1-ol
CID 54205870
3-(Methyldiazenyl)propan-1-ol
CID 88315781
3-(Aminodiazenyl)propan-1-ol
CID 89338855
CID 91328059
CID 91328059

Frequently Asked Questions

What is the IUPAC name of 3-azidopropan-1-ol azide?
The IUPAC name of 3-azidopropan-1-ol azide (CID 159010495) is 3-azidopropan-1-ol azide.
What is the SMILES notation for 3-azidopropan-1-ol azide?
The canonical SMILES for 3-azidopropan-1-ol azide is [N-]=[N+]=NCCCO.[N-]=[N+]=[N-].
What is the InChIKey of 3-azidopropan-1-ol azide?
The InChIKey is JSKPTMDUUVXHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O.N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;/q;-1.
What are the key properties of 3-azidopropan-1-ol azide?
3-azidopropan-1-ol azide has a molecular weight of 143.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropan-1-ol azide is sourced from PubChem (CID 159010495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).