Basic information
- CAS
67292-79-9- Standard SMILES
O=C(Nn1nc(-[n+]2ccccc2)nc1-[n+]1ccccc1)c1ccncc1.[Cl-].[Cl-]- InChIKey
OXSUXZDHVYPJLU-UHFFFAOYSA-M- Molecular formula
- C18H15Cl2N7O
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.0715135
Names & identifiers
- Preferred name
- Isonicotinamide, N-(3,5-bis(4-pyridyl)-1H-1,2,4-triazolyl)-, dihydrochloride
- IUPAC
- N-[3,5-di(pyridin-1-ium-1-yl)-1,2,4-triazol-1-yl]pyridine-4-carboxamide dichloride
Names & synonyms
N-(3,5-Di-4-pyridyl-s-triazol-4-yl)isonicotinamide, dihydrochloride1H-1,2,4-Triazole, 3,5-bis(4-pyridyl)-1-isonicotinamido-, dihydrochlorideISONICOTINAMIDE, N-(3,5-BIS(4-PYRIDYL)-1H-1,2,4-TRIAZOLYL)-, DIHYDROCHLORIDE67292-79-9RefChem:349645
Database identifiers
- CAS
67292-79-9- PubChem CID
- 49776
Properties
Computed structural properties
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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