Basic information
- CAS
856587-85-4- Standard SMILES
Nc1ccnc2cc(=O)[nH]n12- InChIKey
JIRUUVRZUUVEGV-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 7-Aminopyrazolo[1,5-a]pyrimidin-2(1H)-one
- IUPAC
- 7-amino-1H-pyrazolo[1,5-a]pyrimidin-2-one
- English name
- Pyrazolo[1,5-a]pyrimidin-2-ol, 7-amino- (7CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
7-Aminopyrazolo[1,5-a]pyrimidin-2(1H)-one856587-85-47-aminopyrazolo[1,5-a]pyrimidin-2-ol7-amino-1H,2H-pyrazolo[1,5-a]pyrimidin-2-oneAKOS040852502Pyrazolo[1,5-a]pyrimidin-2(1H)-one, 7-amino-Pyrazolo[1,5-a]pyrimidin-2-ol, 7-amino- (7CI)
Database identifiers
- CAS
856587-85-4- PubChem CID
- 45121255
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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