Basic information
- CAS
7403-20-5- Standard SMILES
CCCCNc1ncnc2nsnc12- InChIKey
RVGLURHZGYFDIV-UHFFFAOYSA-N- Molecular formula
- C8H11N5S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.07351655
Names & identifiers
- Preferred name
- N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
- IUPAC
- N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Names & synonyms
7403-20-5N-butyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amineNSC403071DTXSID50323115NSC-403071N-Butyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Database identifiers
- CAS
7403-20-5- PubChem CID
- 345441
- DTXSID
DTXSID50323115
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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