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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-Benzyl-4-phenyl-1，2，3-triazoleCas Number: 108717-96-0 Compound CID: 11310894Formula: C15H13N3 Molecular Weight: 235.28IUPAC Name: 1-benzyl-4-phenyltriazoleSMILES: C1=CC=C(C=C1)CN2C=C(N=N2)C3=CC=CC=C3InChIKey: GANAQXGHGKBVKP-UHFFFAOYSA-NInChI: InChI=1S/C15H13N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1-10,12H,11H2 -
1-(4-Amino-phenyl)-1，2，3-triazoleCas Number: 16279-88-2 Compound CID: 15514364Formula: C8H8N4 Molecular Weight: 160.18IUPAC Name: 4-(triazol-1-yl)anilineSMILES: C1=CC(=CC=C1N)N2C=CN=N2InChIKey: VBRMIWOLUCKNTN-UHFFFAOYSA-NInChI: InChI=1S/C8H8N4/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H,9H2
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1-(2-CHLOROETHYL)-1H-1，2，4-TRIAZOLECas Number: 3236-66-6 Compound CID: 4712275IUPAC Name: 1-(2-chloroethyl)-1,2,4-triazoleSMILES: C1=NN(C=N1)CCClInChIKey: UBSIYQGXRKNEJP-UHFFFAOYSA-NInChI: InChI=1S/C4H6ClN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
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(3-Phenyl-1H-1，2，4-triazol-5-yl)methanamineCas Number: 805179-91-3 Compound CID: 26249067Formula: C9H10N4 Molecular Weight: 174.2IUPAC Name: (3-phenyl-1H-1,2,4-triazol-5-yl)methanamineSMILES: C1=CC=C(C=C1)C2=NNC(=N2)CNInChIKey: MMMFKWILXVDBHJ-UHFFFAOYSA-NInChI: InChI=1S/C9H10N4/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,12,13)
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(2-(1H-1，2，4-Triazol-1-yl)phenyl)methanamineCas Number: 449756-97-2 Compound CID: 4913133Formula: C9H11ClN4 Molecular Weight: 210.67IUPAC Name: [2-(1,2,4-triazol-1-yl)phenyl]methanamineSMILES: C1=CC=C(C(=C1)CN)N2C=NC=N2InChIKey: NIIBEJVCPXCXBQ-UHFFFAOYSA-NInChI: InChI=1S/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
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6-Methoxy-3-(4-(trifluoromethyl)phenyl)-[1，2，4]triazolo[4，3-b]pyridazineCas Number: 289651-70-3 Compound CID: 2775307IUPAC Name: 6-methoxy-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazineSMILES: COC1=NN2C(=NN=C2C3=CC=C(C=C3)C(F)(F)F)C=C1InChIKey: QYFCMHYWVYOKJR-UHFFFAOYSA-NInChI: InChI=1S/C13H9F3N4O/c1-21-11-7-6-10-17-18-12(20(10)19-11)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3
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5-Methyl-1H-1，2，4-triazole-3(2H)-thioneCas Number: 7271-44-5 Compound CID: 1538728Formula: C3H5N3S Molecular Weight: 115.16IUPAC Name: 5-methyl-1,2-dihydro-1,2,4-triazole-3-thioneSMILES: CC1=NC(=S)NN1InChIKey: OUZCWDMJTKYHCA-UHFFFAOYSA-NInChI: InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
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5-(4-Methoxyphenyl)-4H-1，2，4-triazol-3-amineCas Number: 54464-14-1 Compound CID: 781002Formula: C9H10N4O Molecular Weight: 190.21IUPAC Name: 5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amineSMILES: COC1=CC=C(C=C1)C2=NC(=NN2)NInChIKey: BKEAHUXWMIWWCP-UHFFFAOYSA-NInChI: InChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
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5-(4-Methoxyphenyl)-4H-1，2，4-triazole-3-thiolCas Number: 33901-36-9 Compound CID: 689101Formula: C9H9N3OS Molecular Weight: 207.26IUPAC Name: 5-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thioneSMILES: COC1=CC=C(C=C1)C2=NC(=S)NN2InChIKey: USRWSSVQAGNWRI-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-10-9(14)12-11-8/h2-5H,1H3,(H2,10,11,12,14)
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5-(4-Chlorophenyl)-1H-1，2，4-triazol-3-amineCas Number: 98554-00-8 Compound CID: 691412Formula: C8H7ClN4 Molecular Weight: 194.62IUPAC Name: 5-(4-chlorophenyl)-1H-1,2,4-triazol-3-amineSMILES: C1=CC(=CC=C1C2=NC(=NN2)N)ClInChIKey: ZZDNYRLLRFJEDN-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClN4/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
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5-(4-Methylphenyl)-4-phenyl-4h-1，2，4-triazole-3-thiolCas Number: 93378-56-4 Compound CID: 803041Formula: C15H13N3S Molecular Weight: 267.34IUPAC Name: 3-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thioneSMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3InChIKey: LALVKWMNBBEACB-UHFFFAOYSA-NInChI: InChI=1S/C15H13N3S/c1-11-7-9-12(10-8-11)14-16-17-15(19)18(14)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,19)
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4-Phenyl-4H-1，2，4-triazoleCas Number: 16227-12-6 Compound CID: 85340Formula: C8H7N3 Molecular Weight: 145.16IUPAC Name: 4-phenyl-1,2,4-triazoleSMILES: C1=CC=C(C=C1)N2C=NN=C2InChIKey: YAHHNSBXSDGEFB-UHFFFAOYSA-NInChI: InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-6-9-10-7-11/h1-7H
