Basic information
- Standard SMILES
CCNC(=NCCSCc1cccnn1)NC#N- InChIKey
ZHANUAIFVLNYBQ-UHFFFAOYSA-N- Molecular formula
- C11H16N6S
- Average molar mass
- 264.35 g/mol
Names & identifiers
- Preferred name
- N-cyano-N'-ethyl-N"-[2-(3-pyridazinylmethylthio)ethyl]guanidine
- IUPAC
- 1-cyano-3-ethyl-2-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]guanidine
Names & synonyms
SCHEMBL11359953SCHEMBL11359956SCHEMBL11359959ZHANUAIFVLNYBQ-UHFFFAOYSA-NN-cyano-N'-ethyl-N"-[2-(3-pyridazinylmethylthio)ethyl]guanidine
Database identifiers
- PubChem CID
- 54546728
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
10 records
Compound notes
Loading…