Basic information
- CAS
1018047-31-8- Standard SMILES
CNc1nc(NC(C)C)nc(-n2cnc(SCC(N)=O)n2)n1- InChIKey
UFOVAMHRZLVJSR-UHFFFAOYSA-N- Molecular formula
- C11H17N9OS
- Average molar mass
- 323.38 g/mol
- Monoisotopic mass
- 323.12767737
Names & identifiers
- Preferred name
- 2-({1-[4-(isopropylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetamide
- IUPAC
- 2-[[1-[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
1018047-31-82-({1-[4-(METHYLAMINO)-6-[(PROPAN-2-YL)AMINO]-1,3,5-TRIAZIN-2-YL]-1H-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETAMIDE2-[(1-{4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamideDTXSID301111047AKOS0049203312-({1-[4-(isopropylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}thio)acetamide2-[[1-[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide2-[[1-[4-(Methylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl]thio]acetamide
Database identifiers
- CAS
1018047-31-8- PubChem CID
- 32802484
- DTXSID
DTXSID301111047
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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