[1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-
Basic information
- CAS
70182-89-7- Standard SMILES
CSc1nc(N)cc2ncnn12- InChIKey
LQWFBJQUUPZEDY-UHFFFAOYSA-N- Molecular formula
- C6H7N5S
- Average molar mass
- 181.22 g/mol
- Monoisotopic mass
- 181.04221642
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-
- IUPAC
- 5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
Names & synonyms
70182-89-75-(Methylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine[1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-DTXSID00363445AKOS0052205945-(methylsulfanyl)[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
Database identifiers
- CAS
70182-89-7- PubChem CID
- 1491809
- DTXSID
DTXSID00363445
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…