1-Methyl-3-nitro-5-phenyl-1,2,4-triazole
Basic information
- CAS
69441-97-0- Standard SMILES
Cn1nc([N+](=O)[O-])nc1-c1ccccc1- InChIKey
LEQFSYDAWAXBKI-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.06472551
Names & identifiers
- Preferred name
- 1-Methyl-3-nitro-5-phenyl-1,2,4-triazole
- IUPAC
- 1-methyl-3-nitro-5-phenyl-1,2,4-triazole
Names & synonyms
69441-97-01-methyl-3-nitro-5-phenyl-1,2,4-triazoleNSC169548DTXSID70305170NSC-1695481-Methyl-3-nitro-5-phenyl-1H-1,2,4-triazole
Database identifiers
- CAS
69441-97-0- PubChem CID
- 297982
- DTXSID
DTXSID70305170
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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