Basic information
- CAS
41735-43-7- Standard SMILES
CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)n(C)n1- InChIKey
NPROWEBQDMTYMG-UHFFFAOYSA-N- Molecular formula
- C9H9N5O4
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.06545379
Names & identifiers
- Preferred name
- Acetamide, N-(1-methyl-5-(5-nitro-2-furyl)-s-triazol-3-yl)-
- IUPAC
- N-[1-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]acetamide
- English name
- N-[1-Methyl-5-(5-nitro-2-furanyl)-1H-1,2,4-triazol-3-yl]acetamide
- Molecular weight
- 0
Names & synonyms
41735-43-7BRN 1149842ACETAMIDE, N-(1-METHYL-5-(5-NITRO-2-FURYL)-s-TRIAZOL-3-YL)-s-Triazole, 3-acetamido-1-methyl-5-(5-nitro-2-furyl)-N-(1-Methyl-5-(5-nitro-2-furyl)-s-triazol-3-yl)acetamideDTXSID90194563RefChem:314925DTXCID30117054N-(1-Methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-yl)acetamideN-[1-methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-yl]acetamideN-[1-Methyl-5-(5-nitro-2-furanyl)-1H-1,2,4-triazol-3-yl]acetamide
Database identifiers
- CAS
41735-43-7- PubChem CID
- 39028
- DTXSID
DTXSID90194563- Nikkaji
- J73.487J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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