2,2'-[(5-Amino-3-butyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azanediyl]di(ethan-1-ol)
Basic information
- CAS
90117-04-7- Standard SMILES
CCCCn1nnc2c(N(CCO)CCO)nc(N)nc21- InChIKey
AMQCHMUWNMOVQN-UHFFFAOYSA-N- Molecular formula
- C12H21N7O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.17567294
Names & identifiers
- Preferred name
- 2,2'-[(5-Amino-3-butyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azanediyl]di(ethan-1-ol)
- IUPAC
- 2-[(5-amino-3-butyltriazolo[4,5-d]pyrimidin-7-yl)-(2-hydroxyethyl)amino]ethanol
Names & synonyms
90117-04-7NSC32804DTXSID40283658NSC-328042,2'-[(5-Amino-3-butyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)azanediyl]di(ethan-1-ol)
Database identifiers
- CAS
90117-04-7- PubChem CID
- 233786
- DTXSID
DTXSID40283658
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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