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1-Decyl-3,5-dimethyl-1,2,4-triazole (HCID 19047643)|Huagongshe
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Compound
1-Decyl-3,5-dimethyl-1,2,4-triazole
HCID
19047643
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCn1nc(C)nc1C
InChIKey
ZCCKPGDNMZGXMU-UHFFFAOYSA-N
Molecular formula
C14H27N3
Average molar mass
237.38 g/mol
Names & identifiers
Preferred name
1-Decyl-3,5-dimethyl-1,2,4-triazole
IUPAC
1-decyl-3,5-dimethyl-1,2,4-triazole
Names & synonyms
SCHEMBL8873206
ZCCKPGDNMZGXMU-UHFFFAOYSA-N
1-decyl-3,5-dimethyl-1,2,4-triazole
Database identifiers
PubChem CID
19047643
Properties
Computed structural properties
XLogP
5.2
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
17
Formal charge
0
Complexity
184
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
53468
As product
uspto-grants-1997_04
HRID
1567719
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1780792
As product
uspto-grants-1997_05
Compound notes
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