3,6-Diamino-1-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
Basic information
- CAS
1901-69-5- Standard SMILES
Cn1nc(N)c2cc(C#N)c(N)nc21- InChIKey
UADYXCCWXCCSER-UHFFFAOYSA-N- Molecular formula
- C8H8N6
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.08104428
Names & identifiers
- Preferred name
- 3,6-Diamino-1-methylpyrazolo[3,4-b]pyridine-5-carbonitrile
- IUPAC
- 3,6-diamino-1-methylpyrazolo[5,4-b]pyridine-5-carbonitrile
Names & synonyms
CHEMBL5623961901-69-53,6-Diamino-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile3,6-diamino-1-methylpyrazolo[3,4-b]pyridine-5-carbonitrileNSC165523DTXSID70304365BDBM50297038NSC-165523
Database identifiers
- CAS
1901-69-5- PubChem CID
- 295897
- DTXSID
DTXSID70304365- ChEMBL
CHEMBL562396- Nikkaji
- J2.864.313F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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