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3-methylamino-5-nitro-1H-indazole (HCID 22567080)|Huagongshe
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Compound
3-methylamino-5-nitro-1H-indazole
HCID
22567080
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CNc1n[nH]c2ccc([N+](=O)[O-])cc12
InChIKey
GCFJXYBSGZNKPT-UHFFFAOYSA-N
Molecular formula
C8H8N4O2
Average molar mass
192.17 g/mol
Names & identifiers
Preferred name
3-methylamino-5-nitro-1H-indazole
IUPAC
N-methyl-5-nitro-1H-indazol-3-amine
Names & synonyms
SCHEMBL4007840
GCFJXYBSGZNKPT-UHFFFAOYSA-N
3-methylamino-5-nitro-1H-indazole
Database identifiers
PubChem CID
22567080
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
86.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
230
Show all 8
Show all 8 / 8
Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
25398
As reactant
uspto-grants-2005_02
HRID
25399
As product
uspto-grants-2005_02
HRID
101174
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1135647
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1452866
As reactant
uspto-grants-2009_01
HRID
1452867
As product
uspto-grants-2009_01
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Compound notes
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