3-aminooxy-2-diazenylpropan-1-ol

C3H9N3O2 — CID 121380573

IUPAC3-aminooxy-2-diazenylpropan-1-ol
SMILES[H]/N=N/C(CO)CON
InChIInChI=1S/C3H9N3O2/c4-6-3(1-7)2-8-5/h3-4,7H,1-2,5H2/b6-4+
InChIKeyDSGXIXRCPVYYBX-GQCTYLIASA-N
MW119.12 g/mol
LogP-0.73
Rot. Bonds4

About 3-aminooxy-2-diazenylpropan-1-ol

3-aminooxy-2-diazenylpropan-1-ol (PubChem CID 121380573) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-aminooxy-2-diazenylpropan-1-ol.

Molecular Properties

Compound Name3-aminooxy-2-diazenylpropan-1-ol
PubChem CID121380573
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Name3-aminooxy-2-diazenylpropan-1-ol
SMILES[H]/N=N/C(CO)CON
InChIInChI=1S/C3H9N3O2/c4-6-3(1-7)2-8-5/h3-4,7H,1-2,5H2/b6-4+
InChIKeyDSGXIXRCPVYYBX-GQCTYLIASA-N
XLogP-0.73
TPSA91.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminooxy-2-diazenylpropan-1-ol?
The IUPAC name of 3-aminooxy-2-diazenylpropan-1-ol (CID 121380573) is 3-aminooxy-2-diazenylpropan-1-ol.
What is the SMILES notation for 3-aminooxy-2-diazenylpropan-1-ol?
The canonical SMILES for 3-aminooxy-2-diazenylpropan-1-ol is [H]/N=N/C(CO)CON.
What is the InChIKey of 3-aminooxy-2-diazenylpropan-1-ol?
The InChIKey is DSGXIXRCPVYYBX-GQCTYLIASA-N. The full InChI is InChI=1S/C3H9N3O2/c4-6-3(1-7)2-8-5/h3-4,7H,1-2,5H2/b6-4+.
What are the key properties of 3-aminooxy-2-diazenylpropan-1-ol?
3-aminooxy-2-diazenylpropan-1-ol has a molecular weight of 119.12 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-2-diazenylpropan-1-ol is sourced from PubChem (CID 121380573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).