3-(5-Nitro-2-furyl)-4H-1,2,4-triazole
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Basic information
- CAS
5019-55-6- Standard SMILES
O=[N+]([O-])c1ccc(-c2ncn[nH]2)o1- InChIKey
OHEIGDXIMWTXGW-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.02834
Names & identifiers
- Preferred name
- 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole
- IUPAC
- 5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
- English name
- 3-(5-NITRO-2-FURYL)-4H-1,2,4-TRIAZOLE
- Molecular formula
- C6H4N4O3
- Molecular weight
- 180.12
Names & synonyms
5019-55-63-(5-Nitro-2-furyl)-4H-1,2,4-triazole3-(5-Nitro-2-furanyl)-1,2,4-triazole3-(5-NITROFURAN-2-YL)-4H-1,2,4-TRIAZOLE4H-1,2,4-TRIAZOLE, 3-(5-NITRO-2-FURYL)-3-(5-nitro-furan-2-yl)-1H-[1,2,4]triazoleCCRIS 1203s-Triazole, 3-(5-nitro-2-furyl)-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazoleGVC9A38WQ31H-1,2,4-Triazole, 3-(5-nitro-2-furanyl)-DTXSID40198233
Show more names
3-(5-Nitrofuran-2-yl)-1H-1,2,4-triazole
OHEIGDXIMWTXGW-UHFFFAOYSA-NAKOS0062787083-(5-Nitro-2-furyl)-1,2,4-triazole5-(5-nitro-2-furyl)-1,2,4-triazole5-(5-Nitro-2-furanyl)-1H-1,2,4-triazole3-(5-Nitro-2-furyl)-1H-1,2,4-triazole #1H-1,2,4-Triazole, 5-(5-nitro-2-furanyl)-NITRO-2-FURANYL)-1,2,4-TRIAZOLE, 3-(5-
Database identifiers
- CAS
5019-55-6- PubChem CID
- 21119
- DTXSID
DTXSID40198233- UNII
- GVC9A38WQ3
- Nikkaji
- J91.088K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
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Compound notes
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