N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
Basic information
- CAS
1789-26-0- Standard SMILES
CC(=O)Nc1ncc(C=Cc2ccc([N+](=O)[O-])o2)nn1- InChIKey
SWMPGCCDXNLPED-UHFFFAOYSA-N- Molecular formula
- C11H9N5O4
- Average molar mass
- 275.22 g/mol
- Monoisotopic mass
- 275.06545379
Names & identifiers
- Preferred name
- N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
- IUPAC
- N-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
Names & synonyms
SWMPGCCDXNLPED-UHFFFAOYSA-N
Database identifiers
- CAS
1789-26-0- PubChem CID
- 15705
- DTXSID
DTXSID601043184
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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