3-(1H-Pyrrol-1-yl)-2-pyrazinecarbonyl azide
Basic information
- CAS
104149-47-5- Standard SMILES
[N-]=[N+]=NC(=O)c1nccnc1-n1cccc1- InChIKey
ZVORCKQKISTGMS-UHFFFAOYSA-N- Molecular formula
- C9H6N6O
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.06030884
Names & identifiers
- Preferred name
- 3-(1H-Pyrrol-1-yl)-2-pyrazinecarbonyl azide
- IUPAC
- 3-pyrrol-1-ylpyrazine-2-carbonyl azide
Names & synonyms
3-(1H-Pyrrol-1-yl)-2-pyrazinecarbonyl azideDTXSID701260169104149-47-53-(1H-Pyrrol-1-yl)pyrazine-2-carbonyl azide
Database identifiers
- CAS
104149-47-5- PubChem CID
- 13468525
- DTXSID
DTXSID701260169
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…