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4-Methyl-1-pyrrolidin-3-yltriazole (HCID 19005945)|Huagongshe
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Compound
4-Methyl-1-pyrrolidin-3-yltriazole
HCID
19005945
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1cn(C2CCNC2)nn1
InChIKey
HXDVDJASCLYPOK-UHFFFAOYSA-N
Molecular formula
C7H12N4
Average molar mass
152.2 g/mol
Names & identifiers
Preferred name
4-Methyl-1-pyrrolidin-3-yltriazole
IUPAC
4-methyl-1-pyrrolidin-3-yltriazole
Names & synonyms
SCHEMBL3800094
SCHEMBL8131168
Database identifiers
PubChem CID
19005945
Properties
Computed structural properties
XLogP
-0.2
Topological polar surface area
42.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
138
Show all 8
Show all 8 / 8
Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
806880
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
812204
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
954579
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1128289
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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