Aryl 1,2,4-triazolones

Description:

Aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.

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  1. Bms-192364
    CAS: 202822-21-7 Formula: C15H9ClF3N3O2 Molecular Weight: 355.700
    Out of Stock Item #: B964535
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    IUPAC Name
    2-(5-chloro-2-hydroxyphenyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
    SMILES
    C1=CC(=CC=C1C2=NN(C(=O)N2)C3=C(C=CC(=C3)Cl)O)C(F)(F)F
    InChIKey
    XNRWPJIJOVVQRQ-UHFFFAOYSA-N
    InChI
    1S/C15H9ClF3N3O2/c16-10-5-6-12(23)11(7-10)22-14(24)20-13(21-22)8-1-3-9(4-2-8)15(17,18)19/h1-7,23H,(H,20,21,24)
  2. Bms-195270
    CAS: 202822-23-9 Formula: C15H9ClF3N3O2 Molecular Weight: 355.700
    Out of Stock Item #: B987725
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    Technical Identifiers
    IUPAC Name
    2-(5-chloro-2-hydroxyphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
    SMILES
    C1=CC=C(C(=C1)C2=NN(C(=O)N2)C3=C(C=CC(=C3)Cl)O)C(F)(F)F
    InChIKey
    PHWHYZMFGGOJEU-UHFFFAOYSA-N
    InChI
    1S/C15H9ClF3N3O2/c16-8-5-6-12(23)11(7-8)22-14(24)20-13(21-22)9-3-1-2-4-10(9)15(17,18)19/h1-7,23H,(H,20,21,24)
  3. 3-Oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
    CAS: 53975-72-7 Formula: C7H5N3O3 Molecular Weight: 179.13
    Out of Stock Item #: O769288
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    Technical Identifiers
    SMILES
    C1=CN2C(=NNC2=O)C(=C1)C(=O)O
    InChIKey
    ZKBNKPSAROKKKH-UHFFFAOYSA-N
    InChI
    1S/C7H5N3O3/c11-6(12)4-2-1-3-10-5(4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12)
  4. 6-bromo-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
    CAS: 1782729-97-8 PubChem CID: 84103204 Formula: C7H6BrN3O Molecular Weight: 228.05
    Out of Stock Item #: B682073
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    Technical Identifiers
    SMILES
    CN1C(=O)N2C=C(C=CC2=N1)Br
    InChIKey
    XHIRGJOCHASTDA-UHFFFAOYSA-N
    InChI
    1S/C7H6BrN3O/c1-10-7(12)11-4-5(8)2-3-6(11)9-10/h2-4H,1H3
  5. 8-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    CAS: 1207970-25-9 PubChem CID: 67187662 Formula: C6H4BrN3O Molecular Weight: 214.02
    Out of Stock Item #: B679524
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    Technical Identifiers
    SMILES
    C1=CN2C(=NNC2=O)C(=C1)Br
    InChIKey
    YATYBGKJPZHGKO-UHFFFAOYSA-N
    InChI
    1S/C6H4BrN3O/c7-4-2-1-3-10-5(4)8-9-6(10)11/h1-3H,(H,9,11)
  6. 7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    CAS: 1020039-12-6 PubChem CID: 55266115 Formula: C6H4N3OCl Molecular Weight: 169.56
    Out of Stock Item #: C677753
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    IUPAC Name
    7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    SMILES
    C1=CN2C(=NNC2=O)C=C1Cl
    InChIKey
    RJGCGYRBLODQEG-UHFFFAOYSA-N
    InChI
    1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
  7. 6-chloro-7-methyl-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
    CAS: 1026687-75-1 PubChem CID: 10081100 Formula: C6H5ClN4O Molecular Weight: 184.58
    Out of Stock Item #: C679371
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    Technical Identifiers
    SMILES
    CC1=CC2=NNC(=O)N2N=C1Cl
    InChIKey
    OSULKFZLJFDLOE-UHFFFAOYSA-N
    InChI
    1S/C6H5ClN4O/c1-3-2-4-8-9-6(12)11(4)10-5(3)7/h2H,1H3,(H,9,12)
  8. 5-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    CAS: 864933-07-3 PubChem CID: 56777241 Formula: C6H4BrN3O Molecular Weight: 214.02
    Out of Stock Item #: B682072
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    Technical Identifiers
    SMILES
    C1=CC2=NNC(=O)N2C(=C1)Br
    InChIKey
    WPXABJKQENXEKZ-UHFFFAOYSA-N
    InChI
    1S/C6H4BrN3O/c7-4-2-1-3-5-8-9-6(11)10(4)5/h1-3H,(H,9,11)
  9. Pecavaptan
    CAS: 1914998-56-3 PubChem CID: 121301508 Formula: C22H19Cl2F3N6O3 Molecular Weight: 543.3
    Out of Stock Item #: P671320
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    Technical Identifiers
    IUPAC Name
    5-(4-chlorophenyl)-2-[[1-(3-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-show more
    SMILES
    CC(C1=NC(=NN1C2=CC(=CC=C2)Cl)CN3C(=O)N(C(=N3)C4=CC=C(C=C4)Cl)CC(C(F)(F)F)O)O
    InChIKey
    AZXOTZCWQDJCLY-SJCJKPOMSA-N
    InChI
    1S/C22H19Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,17,34-35H,1show more
    Synonyms
    Pecavaptan | AZXOTZCWQDJCLY-SJCJKPOMSA-N | 3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-2-((1-(3-chlorophenyl)-5-((1S)-...
  10. 6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
    CAS: 425702-91-6 EC Number: 892-667-7 PubChem CID: 12040798 Formula: C6H4BrN3O Molecular Weight: 214.02
    Solid ≥97%
    Out of Stock Item #: B638263
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    Technical Identifiers
    IUPAC Name
    6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    SMILES
    C1=CC2=NNC(=O)N2C=C1Br
    InChIKey
    KZVFUYHFHBBPPD-UHFFFAOYSA-N
    InChI
    1S/C6H4BrN3O/c7-4-1-2-5-8-9-6(11)10(5)3-4/h1-3H,(H,9,11)
    Synonyms
    W12471 | 6-bromo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one | EN300-6800417 | DTXSID10476373 | TS-03053 | 6-Bromo-[1,2...
  11. zaloglanstat
    CAS: 1513852-12-4 PubChem CID: 136246033
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: Z614941
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    IUPAC Name
    N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazol-3-yl}phenyl)methyl]-2,2-dimethylpropanamide
    SMILES
    O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl
    InChIKey
    DOVBVLUPCQSAGE-UHFFFAOYSA-N
    InChI
    1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31show more
    Synonyms
    Zaloglanstat [INN] | 1513852-12-4 | ISC-27864 | UNII-V5SE449P9L | Propanamide, N-((4-chloro-3-(2,5-dihydro-5-oxo-1-(4...
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