3-(3-hydroxypropyldiazenyl)propan-1-ol

C6H14N2O2 — CID 54205870

IUPAC3-(3-hydroxypropyldiazenyl)propan-1-ol
SMILESOCCC/N=N/CCCO
InChIInChI=1S/C6H14N2O2/c9-5-1-3-7-8-4-2-6-10/h9-10H,1-6H2/b8-7+
InChIKeyPSKUFFRBXBWREK-BQYQJAHWSA-N
MW146.19 g/mol
LogP0.20
Rot. Bonds6

About 3-(3-hydroxypropyldiazenyl)propan-1-ol

3-(3-hydroxypropyldiazenyl)propan-1-ol (PubChem CID 54205870) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(3-hydroxypropyldiazenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxypropyldiazenyl)propan-1-ol
PubChem CID54205870
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-(3-hydroxypropyldiazenyl)propan-1-ol
SMILESOCCC/N=N/CCCO
InChIInChI=1S/C6H14N2O2/c9-5-1-3-7-8-4-2-6-10/h9-10H,1-6H2/b8-7+
InChIKeyPSKUFFRBXBWREK-BQYQJAHWSA-N
XLogP0.20
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyldiazenyl)propan-1-ol?
The IUPAC name of 3-(3-hydroxypropyldiazenyl)propan-1-ol (CID 54205870) is 3-(3-hydroxypropyldiazenyl)propan-1-ol.
What is the SMILES notation for 3-(3-hydroxypropyldiazenyl)propan-1-ol?
The canonical SMILES for 3-(3-hydroxypropyldiazenyl)propan-1-ol is OCCC/N=N/CCCO.
What is the InChIKey of 3-(3-hydroxypropyldiazenyl)propan-1-ol?
The InChIKey is PSKUFFRBXBWREK-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H14N2O2/c9-5-1-3-7-8-4-2-6-10/h9-10H,1-6H2/b8-7+.
What are the key properties of 3-(3-hydroxypropyldiazenyl)propan-1-ol?
3-(3-hydroxypropyldiazenyl)propan-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyldiazenyl)propan-1-ol is sourced from PubChem (CID 54205870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).