3-azidopropan-1-ol;diiminoazanium

C3H9N6O+ — CID 135329156

IUPAC3-azidopropan-1-ol;diiminoazanium
SMILESN=[N+]=N.[N-]=[N+]=NCCCO
InChIInChI=1S/C3H7N3O.H2N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;1-2H/q;+1
InChIKeyFQKKHXKMUNZIHZ-UHFFFAOYSA-N
MW145.15 g/mol
LogP0.79
Rot. Bonds3

About 3-azidopropan-1-ol;diiminoazanium

3-azidopropan-1-ol;diiminoazanium (PubChem CID 135329156) has the molecular formula C3H9N6O+ and a molecular weight of 145.15 g/mol. Its IUPAC name is 3-azidopropan-1-ol;diiminoazanium.

Molecular Properties

Compound Name3-azidopropan-1-ol;diiminoazanium
PubChem CID135329156
Molecular FormulaC3H9N6O+
Molecular Weight145.15 g/mol
Exact Mass145.08
IUPAC Name3-azidopropan-1-ol;diiminoazanium
SMILESN=[N+]=N.[N-]=[N+]=NCCCO
InChIInChI=1S/C3H7N3O.H2N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;1-2H/q;+1
InChIKeyFQKKHXKMUNZIHZ-UHFFFAOYSA-N
XLogP0.79
TPSA130.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 50.79
H-Bond Donors ≤ 53
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azidopropan-1-ol;diiminoazanium?
The IUPAC name of 3-azidopropan-1-ol;diiminoazanium (CID 135329156) is 3-azidopropan-1-ol;diiminoazanium.
What is the SMILES notation for 3-azidopropan-1-ol;diiminoazanium?
The canonical SMILES for 3-azidopropan-1-ol;diiminoazanium is N=[N+]=N.[N-]=[N+]=NCCCO.
What is the InChIKey of 3-azidopropan-1-ol;diiminoazanium?
The InChIKey is FQKKHXKMUNZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O.H2N3/c4-6-5-2-1-3-7;1-3-2/h7H,1-3H2;1-2H/q;+1.
What are the key properties of 3-azidopropan-1-ol;diiminoazanium?
3-azidopropan-1-ol;diiminoazanium has a molecular weight of 145.15 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropan-1-ol;diiminoazanium is sourced from PubChem (CID 135329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).