7-Amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Basic information
- CAS
113967-64-9- Standard SMILES
CSc1nc2ncc(C#N)c(N)n2n1- InChIKey
JXSRRBVHLUJJFC-UHFFFAOYSA-N- Molecular formula
- C7H6N6S
- Average molar mass
- 206.23 g/mol
- Monoisotopic mass
- 206.03746539
Names & identifiers
- Preferred name
- 7-Amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
- IUPAC
- 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
- English name
- 7-Amino-6-cyano-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidine
- Molecular formula
- C7H6N6S
- Molecular weight
- 206.23
Names & synonyms
113967-64-97-Amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile7-Amino-6-cyano-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidineDTXSID40384194SBB082863AKOS002676071DB-3507117-Amino-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile7-amino-2-methylthio-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carbonitrile5-Amino-6-cyano-2-methylthio-1,2,4-triazolopyrimidine7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonitrile, 7-amino-2-(methylthio)-
Database identifiers
- CAS
113967-64-9- PubChem CID
- 2800873
- DTXSID
DTXSID40384194
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 0.58 · 0.58±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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