Basic information
- CAS
24521-42-4- Standard SMILES
CC(=CC(=O)Nc1ncn[nH]1)Nc1ncn[nH]1- InChIKey
RGYLVYUWBKOBAK-UHFFFAOYSA-N- Molecular formula
- C8H10N8O
- Average molar mass
- 234.22 g/mol
- Monoisotopic mass
- 234.09775697
Names & identifiers
- Preferred name
- N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylamino)but-2-enamide
- IUPAC
- N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylamino)but-2-enamide
Names & synonyms
24521-42-4N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylamino)but-2-enamideDTXSID60304591RefChem:359989DTXCID30255723N-(1H-1,2,4-Triazol-5-yl)-3-[(1H-1,2,4-triazol-5-yl)amino]but-2-enamide
Database identifiers
- CAS
24521-42-4- PubChem CID
- 296339
- DTXSID
DTXSID60304591
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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