4-Imidazolecarboxamide, 5-(butyl-1-triazeno)-
Basic information
- CAS
3413-74-9- Standard SMILES
CCCCN=NNc1nc[nH]c1C(N)=O- InChIKey
OPJQRGVUQOTCSJ-UHFFFAOYSA-N- Molecular formula
- C8H14N6O
- Average molar mass
- 210.24 g/mol
- Monoisotopic mass
- 210.12290909
Names & identifiers
- Preferred name
- 4-Imidazolecarboxamide, 5-(butyl-1-triazeno)-
- IUPAC
- 4-(2-butyliminohydrazinyl)-1H-imidazole-5-carboxamide
Names & synonyms
NSC4030703413-74-94-Imidazolecarboxamide, 5-(butyl-1-triazeno)-DTXSID10422830NSC-403070(4Z)-4-(3-Butyltriazan-1-ylidene)-4H-imidazole-5-carboxamide
Database identifiers
- CAS
3413-74-9- PubChem CID
- 210420
- DTXSID
DTXSID10422830
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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