7-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
Basic information
- CAS
114808-97-8- Standard SMILES
Cc1ccn2c(=S)[nH]nc2n1- InChIKey
FROMYANVFTXQEW-UHFFFAOYSA-N- Molecular formula
- C6H6N4S
- Average molar mass
- 166.21 g/mol
- Monoisotopic mass
- 166.03131738
Names & identifiers
- Preferred name
- 7-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
- IUPAC
- 7-methyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione
Names & synonyms
114808-97-8SCHEMBL86477997-Methyl[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thioneDTXSID90597338
Database identifiers
- CAS
114808-97-8- PubChem CID
- 19008577
- DTXSID
DTXSID90597338
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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