2-[(5,7-Dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfanyl]acetamide
Basic information
- CAS
74537-92-1- Standard SMILES
Cc1cc2nc(SCC(N)=O)nn2c(C)n1- InChIKey
XXRBJILRBUSYPP-UHFFFAOYSA-N- Molecular formula
- C9H11N5OS
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.06843116
Names & identifiers
- Preferred name
- 2-[(5,7-Dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfanyl]acetamide
- IUPAC
- 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfanyl]acetamide
Names & synonyms
74537-92-12-((5,7-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)thio)acetamideNSC377834DTXSID603215662-[(5,7-Dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfanyl]acetamideNSC-377834
Database identifiers
- CAS
74537-92-1- PubChem CID
- 342184
- DTXSID
DTXSID60321566
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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