2-(aminodiazenyl)propane-1,3-diol

C3H9N3O2 — CID 130316267

IUPAC2-(aminodiazenyl)propane-1,3-diol
SMILESN/N=N/C(CO)CO
InChIInChI=1S/C3H9N3O2/c4-6-5-3(1-7)2-8/h3,7-8H,1-2H2,(H2,4,5)
InChIKeyVLGMLHOAERNQGP-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.33
Rot. Bonds3

About 2-(aminodiazenyl)propane-1,3-diol

2-(aminodiazenyl)propane-1,3-diol (PubChem CID 130316267) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-(aminodiazenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(aminodiazenyl)propane-1,3-diol
PubChem CID130316267
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Name2-(aminodiazenyl)propane-1,3-diol
SMILESN/N=N/C(CO)CO
InChIInChI=1S/C3H9N3O2/c4-6-5-3(1-7)2-8/h3,7-8H,1-2H2,(H2,4,5)
InChIKeyVLGMLHOAERNQGP-UHFFFAOYSA-N
XLogP-1.33
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminodiazenyl)propane-1,3-diol?
The IUPAC name of 2-(aminodiazenyl)propane-1,3-diol (CID 130316267) is 2-(aminodiazenyl)propane-1,3-diol.
What is the SMILES notation for 2-(aminodiazenyl)propane-1,3-diol?
The canonical SMILES for 2-(aminodiazenyl)propane-1,3-diol is N/N=N/C(CO)CO.
What is the InChIKey of 2-(aminodiazenyl)propane-1,3-diol?
The InChIKey is VLGMLHOAERNQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c4-6-5-3(1-7)2-8/h3,7-8H,1-2H2,(H2,4,5).
What are the key properties of 2-(aminodiazenyl)propane-1,3-diol?
2-(aminodiazenyl)propane-1,3-diol has a molecular weight of 119.12 g/mol, XLogP of -1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminodiazenyl)propane-1,3-diol is sourced from PubChem (CID 130316267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).