3-nitro-1,2,5-oxadiazole

C2HN3O3 — CID 15211200

IUPAC3-nitro-1,2,5-oxadiazole
SMILESO=[N+]([O-])c1cnon1
InChIInChI=1S/C2HN3O3/c6-5(7)2-1-3-8-4-2/h1H
InChIKeyVIBTVTDFQOEJQD-UHFFFAOYSA-N
MW115.05 g/mol
LogP-0.02
Rot. Bonds1

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

3-nitro-1,2,5-oxadiazole (PubChem CID 15211200) has the molecular formula C2HN3O3 and a molecular weight of 115.05 g/mol. Its IUPAC name is 3-nitro-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-nitro-1,2,5-oxadiazole
PubChem CID15211200
Molecular FormulaC2HN3O3
Molecular Weight115.05 g/mol
Exact Mass115.00
IUPAC Name3-nitro-1,2,5-oxadiazole
SMILESO=[N+]([O-])c1cnon1
InChIInChI=1S/C2HN3O3/c6-5(7)2-1-3-8-4-2/h1H
InChIKeyVIBTVTDFQOEJQD-UHFFFAOYSA-N
XLogP-0.02
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.05
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-1,2,5-oxadiazole?
The IUPAC name of 3-nitro-1,2,5-oxadiazole (CID 15211200) is 3-nitro-1,2,5-oxadiazole.
What is the SMILES notation for 3-nitro-1,2,5-oxadiazole?
The canonical SMILES for 3-nitro-1,2,5-oxadiazole is O=[N+]([O-])c1cnon1.
What is the InChIKey of 3-nitro-1,2,5-oxadiazole?
The InChIKey is VIBTVTDFQOEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN3O3/c6-5(7)2-1-3-8-4-2/h1H.
What are the key properties of 3-nitro-1,2,5-oxadiazole?
3-nitro-1,2,5-oxadiazole has a molecular weight of 115.05 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1,2,5-oxadiazole is sourced from PubChem (CID 15211200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).