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Basic information
- Standard SMILES
Cn1c(S(C)=O)nnc(N)c1=O- InChIKey
XGVIDAXCCNZKIY-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2S
- Average molar mass
- 188.21 g/mol
- Monoisotopic mass
- 188.03679668
Names & identifiers
- Preferred name
- 6-Amino-4-methyl-3-methylsulfinyl-1,2,4-triazin-5-one
- IUPAC
- 6-amino-4-methyl-3-methylsulfinyl-1,2,4-triazin-5-one
Names & synonyms
SCHEMBL9663383XGVIDAXCCNZKIY-UHFFFAOYSA-N6-amino-4-methyl-3-methylsulfinyl-1,2,4-triazin-5-one
Database identifiers
- PubChem CID
- 19856567
Properties
Computed structural propertiesFilling in
- XLogP
- -1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Related reactions
8 records
Compound notes
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