1-azido-3-(2-azidoethoxy)propane

C5H10N6O — CID 161084189

IUPAC1-azido-3-(2-azidoethoxy)propane
SMILES[N-]=[N+]=NCCCOCCN=[N+]=[N-]
InChIInChI=1S/C5H10N6O/c6-10-8-2-1-4-12-5-3-9-11-7/h1-5H2
InChIKeyUGHGBENJXZIYLR-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.01
Rot. Bonds7

About 1-azido-3-(2-azidoethoxy)propane

1-azido-3-(2-azidoethoxy)propane (PubChem CID 161084189) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-azido-3-(2-azidoethoxy)propane.

Molecular Properties

Compound Name1-azido-3-(2-azidoethoxy)propane
PubChem CID161084189
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name1-azido-3-(2-azidoethoxy)propane
SMILES[N-]=[N+]=NCCCOCCN=[N+]=[N-]
InChIInChI=1S/C5H10N6O/c6-10-8-2-1-4-12-5-3-9-11-7/h1-5H2
InChIKeyUGHGBENJXZIYLR-UHFFFAOYSA-N
XLogP2.01
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-azido-3-(2-azidoethoxy)propane?
The IUPAC name of 1-azido-3-(2-azidoethoxy)propane (CID 161084189) is 1-azido-3-(2-azidoethoxy)propane.
What is the SMILES notation for 1-azido-3-(2-azidoethoxy)propane?
The canonical SMILES for 1-azido-3-(2-azidoethoxy)propane is [N-]=[N+]=NCCCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-3-(2-azidoethoxy)propane?
The InChIKey is UGHGBENJXZIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c6-10-8-2-1-4-12-5-3-9-11-7/h1-5H2.
What are the key properties of 1-azido-3-(2-azidoethoxy)propane?
1-azido-3-(2-azidoethoxy)propane has a molecular weight of 170.18 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(2-azidoethoxy)propane is sourced from PubChem (CID 161084189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).