3-azido-1,2,5-oxadiazole

C2HN5O — CID 22447438

IUPAC3-azido-1,2,5-oxadiazole
SMILES[N-]=[N+]=Nc1cnon1
InChIInChI=1S/C2HN5O/c3-7-5-2-1-4-8-6-2/h1H
InChIKeyASQMURPZUIRIRR-UHFFFAOYSA-N
MW111.06 g/mol
LogP1.01
Rot. Bonds1

About 3-azido-1,2,5-oxadiazole

3-azido-1,2,5-oxadiazole (PubChem CID 22447438) has the molecular formula C2HN5O and a molecular weight of 111.06 g/mol. Its IUPAC name is 3-azido-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-azido-1,2,5-oxadiazole
PubChem CID22447438
Molecular FormulaC2HN5O
Molecular Weight111.06 g/mol
Exact Mass111.02
IUPAC Name3-azido-1,2,5-oxadiazole
SMILES[N-]=[N+]=Nc1cnon1
InChIInChI=1S/C2HN5O/c3-7-5-2-1-4-8-6-2/h1H
InChIKeyASQMURPZUIRIRR-UHFFFAOYSA-N
XLogP1.01
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.06
LogP ≤ 51.01
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-azido-1,2,5-oxadiazole?
The IUPAC name of 3-azido-1,2,5-oxadiazole (CID 22447438) is 3-azido-1,2,5-oxadiazole.
What is the SMILES notation for 3-azido-1,2,5-oxadiazole?
The canonical SMILES for 3-azido-1,2,5-oxadiazole is [N-]=[N+]=Nc1cnon1.
What is the InChIKey of 3-azido-1,2,5-oxadiazole?
The InChIKey is ASQMURPZUIRIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN5O/c3-7-5-2-1-4-8-6-2/h1H.
What are the key properties of 3-azido-1,2,5-oxadiazole?
3-azido-1,2,5-oxadiazole has a molecular weight of 111.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1,2,5-oxadiazole is sourced from PubChem (CID 22447438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).