Basic information
- Standard SMILES
N#CNC(=NCCO[N+](=O)[O-])c1cccnc1- InChIKey
LRIFUWJWOSDOMV-UHFFFAOYSA-N- Molecular formula
- C9H9N5O3
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 235.07053917
Names & identifiers
- Preferred name
- N-cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamide
- IUPAC
- 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl nitrate
Names & synonyms
N-cyano-N'-(2-nitroxyethyl)-3-pyridinecarboximidamideCHEMBL420947SCHEMBL5605983SCHEMBL5605989SCHEMBL6460660SCHEMBL14270349LRIFUWJWOSDOMV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 123958
- ChEMBL
CHEMBL420947- Nikkaji
- J378.407J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Related reactions
2 records
Compound notes
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