N-isopropyl-N'-methyl-6-[3-(methylthio)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
Basic information
- CAS
1018047-16-9- Standard SMILES
CNc1nc(NC(C)C)nc(-n2cnc(SC)n2)n1- InChIKey
KOWSUDXKCWAAPB-UHFFFAOYSA-N- Molecular formula
- C10H16N8S
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.12186372
Names & identifiers
- Preferred name
- N-isopropyl-N'-methyl-6-[3-(methylthio)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
- IUPAC
- 4-N-methyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
1018047-16-9N~2~-Methyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamineDTXSID901116326HMS3468F05AKOS004935566N-isopropyl-N'-methyl-6-[3-(methylthio)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine4-N-methyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamineN2-METHYL-6-[3-(METHYLSULFANYL)-1H-1,2,4-TRIAZOL-1-YL]-N4-(PROPAN-2-YL)-1,3,5-TRIAZINE-2,4-DIAMINEN2-Methyl-N4-(1-methylethyl)-6-[3-(methylthio)-1H-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
1018047-16-9- PubChem CID
- 32802010
- DTXSID
DTXSID901116326
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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