8-Nitro-2-phenyl[1,2,4]triazolo[1,5-a]pyridine

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Basic information

CAS: 31052-92-3
Standard SMILES: O=[N+]([O-])c1cccn2nc(-c3ccccc3)nc12
InChIKey: WEKRFYPGZQDHOQ-UHFFFAOYSA-N
Molecular formula: C12H8N4O2
Average molar mass: 240.22 g/mol
Monoisotopic mass: 240.06472551

Names & identifiers

Preferred name: 8-Nitro-2-phenyl[1,2,4]triazolo[1,5-a]pyridine
IUPAC: 8-nitro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
English name: 8-Nitro-2-phenyl[1,2,4]triazolo[1,5-a]pyridine
Molecular formula: C12H8N4O2
Molecular weight: 240.22

Names & synonyms

31052-92-38-nitro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine8-Nitro-2-phenyl[1,2,4]triazolo[1,5-a]pyridineNSC116471s-Triazolo[1,5-a]pyridine, 8-nitro-2-phenyl-DTXSID00297519WEKRFYPGZQDHOQ-UHFFFAOYSA-Ns-Triazolo[1, 8-nitro-2-phenyl-NSC-1164718-Nitro-2-phenyl[1,2,4]triazolo[1,5-a]pyridine #[1,2,4]Triazolo[1,5-a]pyridine, 8-nitro-2-phenyl-

Database identifiers

CAS: 31052-92-3
PubChem CID: 272199
DTXSID: DTXSID00297519
Nikkaji: J103.009D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 76 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 314

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Compound notes

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