7-Pyrrolidin-1-yl-[1,2,5]thiadiazolo[3,4-d]pyrimidine
Basic information
- CAS
7596-96-5- Standard SMILES
c1nc(N2CCCC2)c2nsnc2n1- InChIKey
RSIPXMYAPFLELF-UHFFFAOYSA-N- Molecular formula
- C8H9N5S
- Average molar mass
- 207.26 g/mol
- Monoisotopic mass
- 207.05786648
Names & identifiers
- Preferred name
- 7-Pyrrolidin-1-yl-[1,2,5]thiadiazolo[3,4-d]pyrimidine
- IUPAC
- 7-pyrrolidin-1-yl-[1,2,5]thiadiazolo[3,4-d]pyrimidine
Names & synonyms
7596-96-57-pyrrolidin-1-yl-[1,2,5]thiadiazolo[3,4-d]pyrimidineNSC406027DTXSID20324210NSC-4060277-(Pyrrolidin-1-yl)[1,2,5]thiadiazolo[3,4-d]pyrimidine
Database identifiers
- CAS
7596-96-5- PubChem CID
- 347375
- DTXSID
DTXSID20324210
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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