Basic information
- CAS
1018047-52-3- Standard SMILES
CCCCNc1nc(NC)nc(-n2cnc(SCC(N)=O)n2)n1- InChIKey
FUVLGRPEGMPVCZ-UHFFFAOYSA-N- Molecular formula
- C12H19N9OS
- Average molar mass
- 337.41 g/mol
- Monoisotopic mass
- 337.14332744
Names & identifiers
- Preferred name
- 2-({1-[4-(butylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetamide
- IUPAC
- 2-[[1-[4-(butylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
1018047-52-32-({1-[4-(BUTYLAMINO)-6-(METHYLAMINO)-1,3,5-TRIAZIN-2-YL]-1H-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETAMIDE2-({1-[4-(butylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetamide2-[[1-[4-(Butylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl]thio]acetamideDTXSID601118680AKOS0049203322-[[1-[4-(butylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Database identifiers
- CAS
1018047-52-3- PubChem CID
- 32802488
- DTXSID
DTXSID601118680
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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