N-[3-[3-[(Dimethylamino)methyl]phenoxy]propyl]-1-methyl-3-[(methylsulphonyl)methyl]-1H-1,2,4-triazol-5-amine

HCID 20199178
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Basic information

Standard SMILES
CN(C)Cc1cccc(OCCCNc2nc(CS(C)(=O)=O)nn2C)c1
InChIKey
JKOJWFMRFXJSMR-UHFFFAOYSA-N
Molecular formula
C17H27N5O3S
Average molar mass
381.5 g/mol
Monoisotopic mass
381.18346091

Names & identifiers

Preferred name
N-[3-[3-[(Dimethylamino)methyl]phenoxy]propyl]-1-methyl-3-[(methylsulphonyl)methyl]-1H-1,2,4-triazol-5-amine
IUPAC
N-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-2-methyl-5-(methylsulfonylmethyl)-1,2,4-triazol-3-amine

Names & synonyms

SCHEMBL10750935JKOJWFMRFXJSMR-UHFFFAOYSA-NN-[3-[3-[(Dimethylamino)methyl]phenoxy]propyl]-1-methyl-3-[(methylsulphonyl)methyl]-1H-1,2,4-triazol-5-amine

Database identifiers

PubChem CID
20199178

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
97.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
26

Related reactions

1 records
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Compound notes

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