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4-(Triazol-1-yl)pyrrolidin-3-amine (HCID 19005950)|Huagongshe
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Compound
4-(Triazol-1-yl)pyrrolidin-3-amine
HCID
19005950
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
NC1CNCC1n1ccnn1
InChIKey
BXBQRMOPERLBTD-UHFFFAOYSA-N
Molecular formula
C6H11N5
Average molar mass
153.19 g/mol
Names & identifiers
Preferred name
4-(Triazol-1-yl)pyrrolidin-3-amine
IUPAC
4-(triazol-1-yl)pyrrolidin-3-amine
Names & synonyms
SCHEMBL8122434
Database identifiers
PubChem CID
19005950
Properties
Computed structural properties
XLogP
-1.9
Topological polar surface area
68.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
139
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1213172
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2132817
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2162339
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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