Basic information
- CAS
4784-14-9- Standard SMILES
N#CCCc1nc(N)nc(N)n1- InChIKey
WKDLAFCZWQWJGY-UHFFFAOYSA-N- Molecular formula
- C6H8N6
- Average molar mass
- 164.17 g/mol
- Monoisotopic mass
- 164.08104428
Names & identifiers
- Preferred name
- 3-(4,6-Diamino-1,3,5-triazin-2-yl)propanenitrile
- IUPAC
- 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile
Names & synonyms
3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile4784-14-9DTXSID60274689RefChem:274295DTXCID90226151NSC8164b-CYANOPROPIOGUANAMINENCIOpen2_000210SCHEMBL11786372NSC-8164NSC63840NSC-63840
Database identifiers
- CAS
4784-14-9- PubChem CID
- 20909
- DTXSID
DTXSID60274689- Nikkaji
- J1.554.363I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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