5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole

C6H4N10O2 — CID 15509055

IUPAC5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
SMILES[N-]=[N+]=NCc1nc(-c2noc(CN=[N+]=[N-])n2)no1
InChIInChI=1S/C6H4N10O2/c7-15-9-1-3-11-5(13-17-3)6-12-4(18-14-6)2-10-16-8/h1-2H2
InChIKeyRJTCUYVZKNVVKR-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.74
Rot. Bonds5

About 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole

5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole (PubChem CID 15509055) has the molecular formula C6H4N10O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
PubChem CID15509055
Molecular FormulaC6H4N10O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole
SMILES[N-]=[N+]=NCc1nc(-c2noc(CN=[N+]=[N-])n2)no1
InChIInChI=1S/C6H4N10O2/c7-15-9-1-3-11-5(13-17-3)6-12-4(18-14-6)2-10-16-8/h1-2H2
InChIKeyRJTCUYVZKNVVKR-UHFFFAOYSA-N
XLogP1.74
TPSA175.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole (CID 15509055) is 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole is [N-]=[N+]=NCc1nc(-c2noc(CN=[N+]=[N-])n2)no1.
What is the InChIKey of 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is RJTCUYVZKNVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N10O2/c7-15-9-1-3-11-5(13-17-3)6-12-4(18-14-6)2-10-16-8/h1-2H2.
What are the key properties of 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole?
5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 248.17 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-[5-(azidomethyl)-1,2,4-oxadiazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 15509055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).