Basic information
- CAS
120952-33-2- Standard SMILES
Nc1nc([N+](=O)[O-])nn1-c1ccccc1- InChIKey
JKMKDMRBXCSPLE-UHFFFAOYSA-N- Molecular formula
- C8H7N5O2
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.05997448
Names & identifiers
- Preferred name
- 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
- IUPAC
- 5-nitro-2-phenyl-1,2,4-triazol-3-amine
- English name
- 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
- Molecular formula
- C8H7N5O2
- Molecular weight
- 205.17
Names & synonyms
3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine120952-33-2DTXSID80339380RefChem:281258DTXCID202904613-nitro-1-phenyl-1H-1,2,4-triazol-5-amine5-nitro-2-phenyl-1,2,4-triazol-3-amineOprea1_493896JKMKDMRBXCSPLE-UHFFFAOYSA-NSTK845402AKOS001747243ST051188
Show more names
1H-1,2,4-Triazol-5-amine, 3-nitro-1-phenyl-
3-nitro-1-phenyl-1,2,4-triazole-5-ylamine5-Nitro-2-phenyl-2H-[1,2,4]triazol-3-ylamineSR-010005330413-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine #SR-01000533041-1
Database identifiers
- CAS
120952-33-2- PubChem CID
- 555752
- DTXSID
DTXSID80339380
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 492 · 492.0±28.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- -1.21 · -1.21±0.50(Predicted)
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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