Basic information
- CAS
59225-09-1- Standard SMILES
COCc1c([N+](=O)[O-])c(C)nc2n[nH]c(N)c12- InChIKey
PTYNTPJRMYLKLZ-UHFFFAOYSA-N- Molecular formula
- C9H11N5O3
- Average molar mass
- 237.22 g/mol
- Monoisotopic mass
- 237.08618923
Names & identifiers
- Preferred name
- 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
- IUPAC
- 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
Names & synonyms
59225-09-14-(Methoxymethyl)-6-methyl-5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amine3-Amino-4-(methoxymethyl)-6-methyl-5-nitropyrazolo[3,4-b]pyridineNSC2787434-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amineDTXSID70408478NSC-278743SY285749
Database identifiers
- CAS
59225-09-1- PubChem CID
- 5113812
- DTXSID
DTXSID70408478
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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