2,3-diazidooxirane

C2H2N6O — CID 135383367

IUPAC2,3-diazidooxirane
SMILES[N-]=[N+]=NC1OC1N=[N+]=[N-]
InChIInChI=1S/C2H2N6O/c3-7-5-1-2(9-1)6-8-4/h1-2H
InChIKeyPSYADMIJJSNTEP-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.29
Rot. Bonds2

About 2,3-diazidooxirane

2,3-diazidooxirane (PubChem CID 135383367) has the molecular formula C2H2N6O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2,3-diazidooxirane.

Molecular Properties

Compound Name2,3-diazidooxirane
PubChem CID135383367
Molecular FormulaC2H2N6O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2,3-diazidooxirane
SMILES[N-]=[N+]=NC1OC1N=[N+]=[N-]
InChIInChI=1S/C2H2N6O/c3-7-5-1-2(9-1)6-8-4/h1-2H
InChIKeyPSYADMIJJSNTEP-UHFFFAOYSA-N
XLogP1.29
TPSA110.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,3-diazidooxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-diazidooxirane?
The IUPAC name of 2,3-diazidooxirane (CID 135383367) is 2,3-diazidooxirane.
What is the SMILES notation for 2,3-diazidooxirane?
The canonical SMILES for 2,3-diazidooxirane is [N-]=[N+]=NC1OC1N=[N+]=[N-].
What is the InChIKey of 2,3-diazidooxirane?
The InChIKey is PSYADMIJJSNTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N6O/c3-7-5-1-2(9-1)6-8-4/h1-2H.
What are the key properties of 2,3-diazidooxirane?
2,3-diazidooxirane has a molecular weight of 126.08 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazidooxirane is sourced from PubChem (CID 135383367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).