1-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-chloroethan-1-one
Structure Info
- Chemspace ID
- CSMB00000704330 (Enamine MADE)
- CAS
- 1823343-83-4
- MFCD
- MFCD26936277
- IUPAC Name
- 1-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-chloroethan-1-one
- Mol formula
- C7H6ClN5O
- Mol weight
- 212 Da
- Catalog Number(s)
- BBV-46630069, BD01044279, CSC000704330, EN300-142435, FCH2423678, Y3439504
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.64
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.14285714285714
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000704330
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