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Triazoles
Description:
Compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
Ancestors:
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1-(3-Chlorophenyl)-1H-1，2，3-triazole-4-carboxylic acidCas Number: 944901-58-0 Compound CID: 28743193Formula: C9H6ClN3O2 Molecular Weight: 223.61IUPAC Name: 1-(3-chlorophenyl)triazole-4-carboxylic acidSMILES: C1=CC(=CC(=C1)Cl)N2C=C(N=N2)C(=O)OInChIKey: OEXGDURKRPWFBF-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClN3O2/c10-6-2-1-3-7(4-6)13-5-8(9(14)15)11-12-13/h1-5H,(H,14,15) -
(5-Methyl-2H-[1，2，4]triazol-3-yl)-aceticacidCas Number: 720706-28-5 Compound CID: 7019477Formula: C5H7N3O2 Molecular Weight: 141.13IUPAC Name: 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acidSMILES: CC1=NC(=NN1)CC(=O)OInChIKey: RIRHAWIZPRZONH-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
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(5-Mercapto-4-methyl-4H-1，2，4-triazol-3-yl)methanolCas Number: 65029-36-9 Compound CID: 15080909Formula: C4H7N3OS Molecular Weight: 145.18IUPAC Name: 3-(hydroxymethyl)-4-methyl-1H-1,2,4-triazole-5-thioneSMILES: CN1C(=NNC1=S)COInChIKey: IBWZWRZRXBVCRS-UHFFFAOYSA-NInChI: InChI=1S/C4H7N3OS/c1-7-3(2-8)5-6-4(7)9/h8H,2H2,1H3,(H,6,9)
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Selinexor (KPT-330)Cas Number: 1421923-86-5Formula: C17H11F6N7O Molecular Weight: 443.3IUPAC Name: (E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazideSMILES: C1=CN=C(C=N1)NNC(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FInChIKey: DEVSOMFAQLZNKR-DAFODLJHSA-NInChI: InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1+
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IpfencarbazoneCas Number: 212201-70-2 Compound CID: 15457339Formula: C18H14Cl2F2N4O2 Molecular Weight: 427.232IUPAC Name: 1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamideSMILES: CC(C)N(C1=C(C=C(C=C1)F)F)C(=O)N2C=NN(C2=O)C3=C(C=C(C=C3)Cl)ClInChIKey: DHYXNIKICPUXJI-UHFFFAOYSA-NInChI: InChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3
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CHEMBRDG-BB 4002460Cas Number: 35257-24-0 Compound CID: 25219503Formula: C9H7N3O2 Molecular Weight: 189.18IUPAC Name: 2-(1H-1,2,4-triazol-5-yl)benzoic acidSMILES: C1=CC=C(C(=C1)C2=NC=NN2)C(=O)OInChIKey: FLMBEEBBZPJTCX-UHFFFAOYSA-NInChI: InChI=1S/C9H7N3O2/c13-9(14)7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)
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5-CHLOROMETHYL-1-METHYL-1H-[1，2，4]TRIAZOLECas Number: 153851-72-0 Compound CID: 10419219Formula: C4H6ClN3 Molecular Weight: 131.56IUPAC Name: 5-(chloromethyl)-1-methyl-1,2,4-triazoleSMILES: CN1C(=NC=N1)CClInChIKey: FRSUDGCEBGTNAB-UHFFFAOYSA-NInChI: InChI=1S/C4H6ClN3/c1-8-4(2-5)6-3-7-8/h3H,2H2,1H3
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5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiolCas Number: 21358-13-4 Compound CID: 720920Formula: C15H13N3OS Molecular Weight: 283.35IUPAC Name: 3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thioneSMILES: C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3InChIKey: CQOIKLYYYATDDP-UHFFFAOYSA-NInChI: InChI=1S/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
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5-(Furan-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiolCas Number: 27106-14-5 Compound CID: 716733Formula: C7H7N3OS Molecular Weight: 181.22IUPAC Name: 3-(furan-2-yl)-4-methyl-1H-1,2,4-triazole-5-thioneSMILES: CN1C(=NNC1=S)C2=CC=CO2InChIKey: DGJGYKBNBLOGSA-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3OS/c1-10-6(8-9-7(10)12)5-3-2-4-11-5/h2-4H,1H3,(H,9,12)
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(1-Ethyl-1H-1，2，4-triazol-5-yl)methanolCas Number: 215868-81-8 Compound CID: 11412385Formula: C5H9N3O Molecular Weight: 127.15IUPAC Name: (2-ethyl-1,2,4-triazol-3-yl)methanolSMILES: CCN1C(=NC=N1)COInChIKey: ZQYXCGFXZPLEKX-UHFFFAOYSA-NInChI: InChI=1S/C5H9N3O/c1-2-8-5(3-9)6-4-7-8/h4,9H,2-3H2,1H3
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4-(4H-1，2，4-Triazol-4-yl)phenolCas Number: 98581-86-3 Compound CID: 25239502Formula: C8H7N3O Molecular Weight: 161.16IUPAC Name: 4-(1,2,4-triazol-4-yl)phenolSMILES: C1=CC(=CC=C1N2C=NN=C2)OInChIKey: RIBPDWQKLGLSLS-UHFFFAOYSA-NInChI: InChI=1S/C8H7N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h1-6,12H
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4-(4H-1,2,4-Triazol-4-yl)anilineCas Number: 52761-74-7 Compound CID: 6492920Formula: C8H8N4 Molecular Weight: 160.18IUPAC Name: 4-(1,2,4-triazol-4-yl)anilineSMILES: C1=CC(=CC=C1N)N2C=NN=C2InChIKey: IIPIRJPTGGFWIE-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4/c9-7-1-3-8(4-2-7)12-5-10-11-6-12/h1-6H,9H2Synonyms: 4-(1,2,4-Triazol-4-yl)aniline
