4,6-dimethyl-5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amine
Basic information
- CAS
42951-67-7- Standard SMILES
Cc1nc2n[nH]c(N)c2c(C)c1[N+](=O)[O-]- InChIKey
XSJMHSFYNFSOAI-UHFFFAOYSA-N- Molecular formula
- C8H9N5O2
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.07562455
Names & identifiers
- Preferred name
- 4,6-dimethyl-5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amine
- IUPAC
- 4,6-dimethyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
Names & synonyms
Oprea1_5061704,6-dimethyl-5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amineDTXSID401210634CCG-157842951-67-7SR-01000633105-1
Database identifiers
- CAS
42951-67-7- PubChem CID
- 3345875
- DTXSID
DTXSID401210634
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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