1-Methyl-3-nitro-5-[[(1-propylimidazol-5-yl)methyl]thio]-1,2,4-triazole

HCID 69521817
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Basic information

Standard SMILES
CCCn1cncc1CSc1nc([N+](=O)[O-])nn1C
InChIKey
ZMZAHDYWBGHBJC-UHFFFAOYSA-N
Molecular formula
C10H14N6O2S
Average molar mass
282.33 g/mol

Names & identifiers

Preferred name
1-Methyl-3-nitro-5-[[(1-propylimidazol-5-yl)methyl]thio]-1,2,4-triazole
IUPAC
1-methyl-3-nitro-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazole

Names & synonyms

SCHEMBL5655402ZMZAHDYWBGHBJC-UHFFFAOYSA-N1-methyl-3-nitro-5-[[(1-propylimidazol-5-yl)methyl]thio]-1,2,4-triazole

Database identifiers

PubChem CID
69521817

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
19

Related reactions

4 records
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Compound notes

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