n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Basic information
- CAS
6944-99-6- Standard SMILES
c1ccc(CNc2ncnc3nsnc23)cc1- InChIKey
JKGOUQKTOFKZJQ-UHFFFAOYSA-N- Molecular formula
- C11H9N5S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.05786648
Names & identifiers
- Preferred name
- n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
- IUPAC
- N-benzyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Names & synonyms
6944-99-6n-benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amineNSC59333DTXSID00289136NSC-59333
Database identifiers
- CAS
6944-99-6- PubChem CID
- 246376
- DTXSID
DTXSID00289136
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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