4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
Basic information
- CAS
20776-81-2- Standard SMILES
CCNc1nc(C#N)nc(NCC)n1- InChIKey
IABHWYRRXGOAKL-UHFFFAOYSA-N- Molecular formula
- C8H12N6
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.11234441
Names & identifiers
- Preferred name
- 4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
- IUPAC
- 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile
Names & synonyms
4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile20776-81-2Oprea1_761143CHEMBL1553144DTXSID90274894STK711614AKOS005523000NCGC00166356-01NCGC00166356-03
Database identifiers
- CAS
20776-81-2- PubChem CID
- 30245
- DTXSID
DTXSID90274894- ChEMBL
CHEMBL1553144- Nikkaji
- J1.609.085I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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