Triazoles

Description:

Compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.

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  1. Carbamic acid, N-(5-((2-phenylethyl)((4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-1-yl)carbonyl)amino)pentyl)-, 1,1-dimethylethyl ester
    CAS: 1402612-61-6 Formula: C28H34F3N5O4 Molecular Weight: 561.600
    Out of Stock Item #: C963678
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    IUPAC Name
    tert-butyl N-[5-[2-phenylethyl-[4-[4-(trifluoromethoxy)phenyl]triazole-1-carbonyl]amino]pentyl]carbamate
    SMILES
    CC(C)(C)OC(=O)NCCCCCN(CCC1=CC=CC=C1)C(=O)N2C=C(N=N2)C3=CC=C(C=C3)OC(F)(F)F
    InChIKey
    NUWWTGPNHRKNPN-UHFFFAOYSA-N
    InChI
    1S/C28H34F3N5O4/c1-27(2,3)40-25(37)32-17-8-5-9-18-35(19-16-21-10-6-4-7-11-21)26(38)36-20-24(33-34-36)22-12-14-23(15-13-22)39-28(29,30)31/h4,6-7,10-15,show more
  2. 2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
    CAS: 381208-40-8 PubChem CID: 886736
    Out of Stock Item #: D1357446
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    IUPAC Name
    2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-amine
    SMILES
    CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)N)C
    InChIKey
    WRIPKYOZKAJHRL-UHFFFAOYSA-N
    InChI
    1S/C17H21N5/c1-4-21(5-2)13-6-8-14(9-7-13)22-19-16-10-12(3)15(18)11-17(16)20-22/h6-11H,4-5,18H2,1-3H3
  3. 1-(3-iodophenyl)-4-(3-nitrophenyl)-1H-1,2,3-triazole
    CAS: 1809031-84-2 PubChem CID: 122190591 Formula: C14H9IN4O2 Molecular Weight: 392.15
    Out of Stock Item #: I1005364
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    IUPAC Name
    1-(3-iodophenyl)-4-(3-nitrophenyl)triazole
    SMILES
    C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(N=N2)C3=CC(=CC=C3)I
    InChIKey
    LSVWEYNSNZJEGB-UHFFFAOYSA-N
    InChI
    1S/C14H9IN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
  4. [(5-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
    CAS: 438481-33-5 PubChem CID: 1587660
    Out of Stock Item #: A1002109
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    IUPAC Name
    2-[[5-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
    SMILES
    C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O)N
    InChIKey
    SPRISILOMIVCIR-UHFFFAOYSA-N
    InChI
    1S/C21H20N6O2S3/c22-18-17-13-8-4-5-9-14(13)32-19(17)24-20(23-18)30-10-15-25-26-21(31-11-16(28)29)27(15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,28,29)(show more
  5. 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)
  6. 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)
  7. 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1,2,4-triazole
    CAS: 611207-11-5 EC Number: 804-240-4 PubChem CID: 10136173
    Out of Stock Item #: C1023920
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    IUPAC Name
    5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1,2,4-triazole
    SMILES
    CCCCCCC1=NN(C(=N1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl
    InChIKey
    USJFDADYVUDVAX-UHFFFAOYSA-N
    InChI
    1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
  8. 4-chloro-2-(1H-1,2,3-triazol-4-yl)phenol
    CAS: 1378976-02-3 Formula: C8H6ClN3O Molecular Weight: 195.600
    Out of Stock Item #: C1010096
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    IUPAC Name
    4-chloro-2-(2H-triazol-4-yl)phenol
    SMILES
    C1=CC(=C(C=C1Cl)C2=NNN=C2)O
    InChIKey
    NBDFMTBYKCBTSW-UHFFFAOYSA-N
    InChI
    1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
  9. 4-[1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine
    CAS: 951612-19-4 Formula: C13H13ClN4OS Molecular Weight: 308.790
    Out of Stock Item #: C1020959
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    IUPAC Name
    [1-(3-chlorophenyl)triazol-4-yl]-thiomorpholin-4-ylmethanone
    SMILES
    C1CSCCN1C(=O)C2=CN(N=N2)C3=CC(=CC=C3)Cl
    InChIKey
    ZOBDTKWDYMRKPF-UHFFFAOYSA-N
    InChI
    1S/C13H13ClN4OS/c14-10-2-1-3-11(8-10)18-9-12(15-16-18)13(19)17-4-6-20-7-5-17/h1-3,8-9H,4-7H2
  10. 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole(AHMT)
    CAS: 1750-12-5 EC Number: 217-135-8 Formula: C2H6N6S Molecular Weight: 146.17
    Solid ≥97%
    Out of Stock Item #: A778203
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    IUPAC Name
    4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione
    SMILES
    C1(=S)NN=C(N1N)NN
    InChIKey
    RDIMQHBOTMWMJA-UHFFFAOYSA-N
    InChI
    1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)
    Synonyms
    AMHT | 4-Amino-5-hydrazino-1,2,4-triazole-3-thiol | 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole | Purpald | 4-Amino...
  11. Carfentrazone-ethyl
    CAS: 128639-02-1 EC Number: 603-291-8 PubChem CID: 86222 Formula: C15H14Cl2F3N3O3 Molecular Weight: 412.19
    Out of Stock Item #: C769152
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    IUPAC Name
    ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
    SMILES
    CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
    InChIKey
    MLKCGVHIFJBRCD-UHFFFAOYSA-N
    InChI
    1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
    Synonyms
    Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-phenyl}pr...
  12. 4-(4-(Dimethylamino)phenyl)-1,2,4-triazolidine-3,5-dione
    CAS: 883455-55-8 PubChem CID: 23583627 Formula: C10H12N4O2 Molecular Weight: 220.23
    Out of Stock Item #: P769070
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    IUPAC Name
    4-[4-(dimethylamino)phenyl]-1,2,4-triazolidine-3,5-dione
    SMILES
    CN(C)C1=CC=C(C=C1)N2C(=O)NNC2=O
    InChIKey
    MMIRDFLZTSMUQF-UHFFFAOYSA-N
    InChI
    1S/C10H12N4O2/c1-13(2)7-3-5-8(6-4-7)14-9(15)11-12-10(14)16/h3-6H,1-2H3,(H,11,15)(H,12,16)
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