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Triazolopyrimidines
Description:
Polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Ancestors:
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[1，2，4]Triazolo[1，5-a]pyrimidin-2-amineCas Number: 13223-53-5Formula: C5H5N5 Molecular Weight: 135.1267SMILES: C1=CN2C(=NC(=N2)N)N=C1InChIKey: IDWOVLRXXSZXNI-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5/c6-4-8-5-7-2-1-3-10(5)9-4/h1-3H,(H2,6,9) -
AR-C124910XXCas Number: 220347-05-7 Compound CID: 49846084Formula: C21H24F2N6O3S Molecular Weight: 478.52IUPAC Name: (1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triolSMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)O)NC4CC4C5=CC(=C(C=C5)F)FInChIKey: XYLIQTKEYHWYGG-XUNGLMTJSA-NInChI: show more
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7-Chloro-2-ethyl-5-methyl[1，2，4]triazolo-[1，5-a]pyrimidineCas Number: 28565-42-6 Compound CID: 30033447IUPAC Name: 7-chloro-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidineSMILES: CCC1=NN2C(=CC(=NC2=N1)C)ClInChIKey: RAYACWRGKMUCCP-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClN4/c1-3-7-11-8-10-5(2)4-6(9)13(8)12-7/h4H,3H2,1-2H3
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5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thiolCas Number: 51646-17-4 Compound CID: 717191Formula: C7H8N4S Molecular Weight: 180.23IUPAC Name: 5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thioneSMILES: CC1=CC(=NC2=NC(=S)NN12)CInChIKey: PZXUJTDXOFHNKC-UHFFFAOYSA-NInChI: InChI=1S/C7H8N4S/c1-4-3-5(2)11-6(8-4)9-7(12)10-11/h3H,1-2H3,(H,10,12)
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(5，7-Dimethyl-[1，2，4]triazolo[1，5-a]pyrimidin-2-yl)methanolCas Number: 54535-00-1 Compound CID: 44141733Formula: C8H10N4O Molecular Weight: 178.19IUPAC Name: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanolSMILES: CC1=CC(=NC2=NC(=NN12)CO)CInChIKey: SHYHYVCNCNAWHV-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3,13H,4H2,1-2H3
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[1，2，4]Triazolo[4，3-a]pyrimidin-3-amineCas Number: 1195625-75-2 Compound CID: 46942170IUPAC Name: [1,2,4]triazolo[4,3-a]pyrimidin-3-amineSMILES: C1=CN2C(=NN=C2N=C1)NInChIKey: GSOHZHFIJOTFHI-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5/c6-4-8-9-5-7-2-1-3-10(4)5/h1-3H,(H2,6,8)
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Ethyl 5-chloro[1，2，4]triazolo[4，3-a]pyrimidine-7-carboxylateCas Number: 99951-90-3 Compound CID: 14850451IUPAC Name: ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylateSMILES: CCOC(=O)C1=NC2=NN=CN2C(=C1)ClInChIKey: WHOZJESYNNZNSN-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClN4O2/c1-2-15-7(14)5-3-6(9)13-4-10-12-8(13)11-5/h3-4H,2H2,1H3
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[1，2，4]Triazolo[1，5-a]pyrimidin-7-olCas Number: 4866-61-9 Compound CID: 585783Formula: C5H4N4O Molecular Weight: 136.11IUPAC Name: 1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-oneSMILES: C1=CN=C2N=CNN2C1=OInChIKey: GXBDCPYXMVITMR-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O/c10-4-1-2-6-5-7-3-8-9(4)5/h1-3H,(H,6,7,8)
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6-chloro-[1,2,4]triazolo[1,5-a]pyrimidineCas Number: 65528-29-2 Compound CID: 12373963Formula: C5H3ClN4 Molecular Weight: 154.56SMILES: C1=C(C=NC2=NC=NN21)ClInChIKey: WPTDJONGJVFDDP-UHFFFAOYSA-NInChI: InChI=1S/C5H3ClN4/c6-4-1-7-5-8-3-9-10(5)2-4/h1-3H
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AdipiplonCas Number: 840486-93-3 Compound CID: 11198924Formula: C18H18FN7 Molecular Weight: 351.4IUPAC Name: 7-[[2-(3-fluoropyridin-2-yl)imidazol-1-yl]methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidineSMILES: CCCC1=C(N=CN2C1=NC(=N2)C)CN3C=CN=C3C4=C(C=CC=N4)FInChIKey: UAMAIHOEGLEXSV-UHFFFAOYSA-NInChI: InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3Synonyms: Adipiplon | HY-14758 | [1,2,4]Triazolo[1,5-c]pyriMidine, 7-[[2-(3-fluoro-2-pyridinyl)-1H-iMidazol-1-yl]Methyl]-2-Meth...
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9-Phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidineFormula: C13H8N4S Molecular Weight: 252.3IUPAC Name: 12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaeneSMILES: C1=CC=C(C=C1)C2=CSC3=C2C4=NN=CN4C=N3InChIKey: IHYCWHDELTTWEI-UHFFFAOYSA-NInChI: InChI=1S/C13H8N4S/c1-2-4-9(5-3-1)10-6-18-13-11(10)12-16-15-8-17(12)7-14-13/h1-8HSynonyms: MLS000111874 | 9-phenylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine | SMR000107793 | NSC623518 | ChemDiv3_002735 | C...
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DSM265Cas Number: 1282041-94-4 Compound CID: 51347395Formula: C14H12F7N5S Molecular Weight: 415.33IUPAC Name: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amineSMILES: CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)S(F)(F)(F)(F)F)C(C)(F)FInChIKey: OIZSVTOIBNSVOS-UHFFFAOYSA-NInChI: InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3Synonyms: A17069 | SCHEMBL14053411 | UNII-0Q42P4YI6B | BCP17584 | HY-100184 | 1282041-94-4 | DB12397 | 2-(1,1-difluoroethyl)-5-...
