1H-Pyrazolo(3,4-d)pyrimidine-3-carboxamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
Basic information
- CAS
122949-67-1- Standard SMILES
NC(=O)c1nn(COCCO)c2ncnc(N)c12- InChIKey
NMZGBZABPKSEDU-UHFFFAOYSA-N- Molecular formula
- C9H12N6O3
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.09708827
Names & identifiers
- Preferred name
- 1H-Pyrazolo(3,4-d)pyrimidine-3-carboxamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
- IUPAC
- 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
Names & synonyms
122949-67-11H-Pyrazolo(3,4-d)pyrimidine-3-carboxamide, 4-amino-1-((2-hydroxyethoxy)methyl)-4-amino-1-[(2-hydroxyethoxy)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide1H-Pyrazolo[3,4-d]pyrimidine-3-carboxamide, 4-amino-1-[(2-hydroxyethoxy)methyl]-4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamideCHEMBL61613DTXSID00153808
Database identifiers
- CAS
122949-67-1- PubChem CID
- 516155
- DTXSID
DTXSID00153808- ChEMBL
CHEMBL61613- Nikkaji
- J325.487I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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