Basic information
- CAS
90117-03-6- Standard SMILES
CCCCNc1nc(N)nc2c1nnn2CCCC- InChIKey
LIPWAMJZHYPDDI-UHFFFAOYSA-N- Molecular formula
- C12H21N7
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.1858437
Names & identifiers
- Preferred name
- 7-N,3-dibutyltriazolo[4,5-d]pyrimidine-5,7-diamine
- IUPAC
- 7-N,3-dibutyltriazolo[4,5-d]pyrimidine-5,7-diamine
Names & synonyms
90117-03-6NSC45395DTXSID101009171NSC-45395N,3-Dibutyl-5-imino-5,6-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Database identifiers
- CAS
90117-03-6- PubChem CID
- 239798
- DTXSID
DTXSID101009171
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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