[1,2,5]Thiadiazolo[3,4-d]pyrimidine-5,7-diamine
Basic information
- CAS
7598-40-5- Standard SMILES
Nc1nc(N)c2nsnc2n1- InChIKey
JYCFIPVDLPWUKE-UHFFFAOYSA-N- Molecular formula
- C4H4N6S
- Average molar mass
- 168.18 g/mol
- Monoisotopic mass
- 168.02181533
Names & identifiers
- Preferred name
- [1,2,5]Thiadiazolo[3,4-d]pyrimidine-5,7-diamine
- IUPAC
- [1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-diamine
Names & synonyms
7598-40-5[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-diamineNSC406029SCHEMBL15776131DTXSID40324212NSC-406029
Database identifiers
- CAS
7598-40-5- PubChem CID
- 347377
- DTXSID
DTXSID40324212- Nikkaji
- J2.449.381D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
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Compound notes
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