Basic information
- CAS
130688-28-7- Standard SMILES
Cc1cccc(Nc2ccnc(N)c2C#N)c1- InChIKey
WOXVKEFEHVKUMU-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 2-amino-4-((3-methylyphenyl)amino)-
- IUPAC
- 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile
Names & synonyms
BRN 43173483-Pyridinecarbonitrile, 2-amino-4-((3-methylyphenyl)amino)-130688-28-72-Amino-4-((3-methylyphenyl)amino)-3-pyridinecarbonitrileDTXSID40156676RefChem:282054DTXCID70791672-amino-4-(3-methylanilino)pyridine-3-carbonitrile
Database identifiers
- CAS
130688-28-7- PubChem CID
- 3076293
- DTXSID
DTXSID40156676
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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