Basic information
- CAS
926668-42-0- Standard SMILES
N#CC(N)=C(C#N)N=Cc1ccncc1- InChIKey
PZZBUWKAVBJMSG-UHFFFAOYSA-N- Molecular formula
- C10H7N5
- Average molar mass
- 197.2 g/mol
- Monoisotopic mass
- 197.07014524
Names & identifiers
- Preferred name
- 2-Amino-3-{(E)-[(pyridin-4-yl)methylidene]amino}but-2-enedinitrile
- IUPAC
- 2-amino-3-(pyridin-4-ylmethylideneamino)but-2-enedinitrile
Names & synonyms
926668-42-0DTXSID708538832-Amino-3-{(E)-[(pyridin-4-yl)methylidene]amino}but-2-enedinitrile
Database identifiers
- CAS
926668-42-0- PubChem CID
- 71445331
- DTXSID
DTXSID70853883
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…