Basic information
- CAS
21087-61-6- Standard SMILES
CSc1nnc(C(C)C)c(=O)n1N- InChIKey
YGKCDLWYVDRIDZ-UHFFFAOYSA-N- Molecular formula
- C7H12N4OS
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.07318219
Names & identifiers
- Preferred name
- 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1-methylethyl)-3-(methylthio)-
- IUPAC
- 4-amino-3-methylsulfanyl-6-propan-2-yl-1,2,4-triazin-5-one
Names & synonyms
21087-61-6Dic-1386BAY-884101,2,4-Triazin-5(4H)-one, 4-amino-6-(1-methylethyl)-3-(methylthio)-4-amino-3-methylsulfanyl-6-propan-2-yl-1,2,4-triazin-5-one4-Amino-6-isopropyl-3-(methylthio)-1,2,4-triazin-5(4H)-onestarbld0005327AI3-52881orb1698193SCHEMBL11703768DTXSID30175316BAY 88410
Show more names
AKOS022646547T303054-Amino-3-(methylsulfanyl)-6-(propan-2-yl)-1,2,4-triazin-5(4H)-one
Database identifiers
- CAS
21087-61-6- PubChem CID
- 30478
- DTXSID
DTXSID30175316- Nikkaji
- J10.776J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
LogP1.23
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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