(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol

C3H8N6O — CID 118228860

IUPAC(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol
SMILES[N-]=[N+]=NC[C@@H](CO)/N=N/N
InChIInChI=1S/C3H8N6O/c4-8-6-1-3(2-10)7-9-5/h3,10H,1-2H2,(H2,5,7)/t3-/m0/s1
InChIKeyQXKSBMFFCLMTJX-VKHMYHEASA-N
MW144.14 g/mol
LogP-0.02
Rot. Bonds4

About (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol

(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol (PubChem CID 118228860) has the molecular formula C3H8N6O and a molecular weight of 144.14 g/mol. Its IUPAC name is (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol
PubChem CID118228860
Molecular FormulaC3H8N6O
Molecular Weight144.14 g/mol
Exact Mass144.08
IUPAC Name(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol
SMILES[N-]=[N+]=NC[C@@H](CO)/N=N/N
InChIInChI=1S/C3H8N6O/c4-8-6-1-3(2-10)7-9-5/h3,10H,1-2H2,(H2,5,7)/t3-/m0/s1
InChIKeyQXKSBMFFCLMTJX-VKHMYHEASA-N
XLogP-0.02
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-diazenylpropan-1-ol
CID 123679005
2,3-Diazidopropanol
CID 12916747
2-Amino-3-azidopropan-1-ol
CID 20578389
(2R)-2-amino-3-azidopropan-1-ol
CID 59055078
2-Diazenylpropan-1-ol
CID 59364551
2-(Aminodiazenyl)propan-1-ol
CID 89365704
(2R)-2-(aminodiazenyl)propan-1-ol
CID 121426654
2-(Aminodiazenyl)propane-1,3-diol
CID 130316267
(2S)-2-(aminodiazenyl)propan-1-ol
CID 132195060
3-Azidopropan-1-ol;diiminoazanium
CID 135329156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol?
The IUPAC name of (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol (CID 118228860) is (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol.
What is the SMILES notation for (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol?
The canonical SMILES for (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol is [N-]=[N+]=NC[C@@H](CO)/N=N/N.
What is the InChIKey of (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol?
The InChIKey is QXKSBMFFCLMTJX-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8N6O/c4-8-6-1-3(2-10)7-9-5/h3,10H,1-2H2,(H2,5,7)/t3-/m0/s1.
What are the key properties of (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol?
(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol has a molecular weight of 144.14 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminodiazenyl)-3-azidopropan-1-ol is sourced from PubChem (CID 118228860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).