1-azidooxyaziridine

C2H4N4O — CID 150453957

IUPAC1-azidooxyaziridine
SMILES[N-]=[N+]=NON1CC1
InChIInChI=1S/C2H4N4O/c3-4-5-7-6-1-2-6/h1-2H2
InChIKeyHOJRIKQTGKITHG-UHFFFAOYSA-N
MW100.08 g/mol
LogP0.46
Rot. Bonds2

About 1-azidooxyaziridine

1-azidooxyaziridine (PubChem CID 150453957) has the molecular formula C2H4N4O and a molecular weight of 100.08 g/mol. Its IUPAC name is 1-azidooxyaziridine.

Molecular Properties

Compound Name1-azidooxyaziridine
PubChem CID150453957
Molecular FormulaC2H4N4O
Molecular Weight100.08 g/mol
Exact Mass100.04
IUPAC Name1-azidooxyaziridine
SMILES[N-]=[N+]=NON1CC1
InChIInChI=1S/C2H4N4O/c3-4-5-7-6-1-2-6/h1-2H2
InChIKeyHOJRIKQTGKITHG-UHFFFAOYSA-N
XLogP0.46
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 50.46
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azidooxy-4-[2-[4-[(E)-2-[5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazol-3-yl]ethenyl]phenyl]ethyl]piperazine
CID 155000795
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1-azidoazetidin-2-one
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4-(azidomethyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-azidooxyaziridine?
The IUPAC name of 1-azidooxyaziridine (CID 150453957) is 1-azidooxyaziridine.
What is the SMILES notation for 1-azidooxyaziridine?
The canonical SMILES for 1-azidooxyaziridine is [N-]=[N+]=NON1CC1.
What is the InChIKey of 1-azidooxyaziridine?
The InChIKey is HOJRIKQTGKITHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4O/c3-4-5-7-6-1-2-6/h1-2H2.
What are the key properties of 1-azidooxyaziridine?
1-azidooxyaziridine has a molecular weight of 100.08 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidooxyaziridine is sourced from PubChem (CID 150453957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).