Basic information
- CAS
1018046-68-8- Standard SMILES
CCNc1nc(NC)nc(-n2cnc(SCC(=O)OCC)n2)n1- InChIKey
IWOJEKITLQOQSO-UHFFFAOYSA-N- Molecular formula
- C12H18N8O2S
- Average molar mass
- 338.39 g/mol
- Monoisotopic mass
- 338.12734302
Names & identifiers
- Preferred name
- ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetate
- IUPAC
- ethyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Names & synonyms
1018046-68-8Ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetateDTXSID601115236AKOS004920451ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetateethyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetateETHYL 2-({1-[4-(ETHYLAMINO)-6-(METHYLAMINO)-1,3,5-TRIAZIN-2-YL]-1H-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETATEEthyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl]thio]acetate
Database identifiers
- CAS
1018046-68-8- PubChem CID
- 32802418
- DTXSID
DTXSID601115236
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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