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:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Triazolopyrimidines

10-(4-ethylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
SMILES: CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1

InChIKey: UYFZCWXRMHSLTC-UHFFFAOYSA-N

InChI: InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)

Synonyms: compound 1a
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[1,2,4]Triazolo[4,3-a]pyrimidin-3(2H)-one
- ≥95%
Cas Number: 63206-77-9 Compound CID: 20551098

Formula: C₅H₄N₄O Molecular Weight: 136.11

IUPAC Name: 2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

SMILES: C1=CN2C(=O)NN=C2N=C1

InChIKey: ZCVBEVJBVLYBBU-UHFFFAOYSA-N

InChI: InChI=1S/C5H4N4O/c10-5-8-7-4-6-2-1-3-9(4)5/h1-3H,(H,8,10)

Synonyms: DTXSID50608590 | AKOS022174545 | SCHEMBL10758387 | AKOS006310095 | BS-17828 | 2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-on...
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Ticagrelor Acetonide
- ≥95%
Cas Number: 274693-26-4

Formula: C₂₆H₃₂F₂N₆O₄S Molecular Weight: 562.63

IUPAC Name: 2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrashow more

SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C4C3OC(O4)(C)C)OCCO)NC5CC5C6=CC(=C(C=C6)F)F

InChIKey: WLEOHEIRUFTYCF-FYEBJQQMSA-N

InChI: InChI=1S/C26H32F2N6O4S/c1-4-9-39-25-30-23(29-17-11-14(17)13-5-6-15(27)16(28)10-13)20-24(31-25)34(33-32-20)18-12-19(36-8-7-35)22-21(18)37-26(2,3)38-22/show more

Synonyms: 2-({(3aR,4S,6R,6aS)-6-[7-{[(1R,2S)-2-(3,4-difluorophenyl)-cyclopropyl]amino}-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]...
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3-[1,2,4]Triazolo[1,5-a]pyrimidin-6-ylpropan-1-ol
Cas Number: 85599-32-2 Compound CID: 15578993

Formula: C₈H₁₀N₄O Molecular Weight: 178.19

IUPAC Name: 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol

SMILES: C1=C(C=NC2=NC=NN21)CCCO

InChIKey: IQKLNRWUTAAYQD-UHFFFAOYSA-N

InChI: InChI=1S/C8H10N4O/c13-3-1-2-7-4-9-8-10-6-11-12(8)5-7/h4-6,13H,1-3H2

Synonyms: 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol | DTXSID90574780 | STK352753 | 3-[1,2,4]Triazolo[1,5-a]pyrimidin-...
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WL-231219
- ≥97%
Cas Number: 842955-63-9 Compound CID: 1092114

Formula: C₁₀H₁₂N₄O₂ Molecular Weight: 220.23

IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

SMILES: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O

InChIKey: NWSSSDXVQWXROX-UHFFFAOYSA-N

InChI: InChI=1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)14-10(13-6)11-5-12-14/h5H,3-4H2,1-2H3,(H,15,16)

Synonyms: ChemDiv2_003005 | SMR000067803 | HMS2338I05 | DTXSID00360232 | MLS000120706 | AKOS000200502 | WL-231219 | BB 0219074 ...
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WAY-324979
- ≥98%
Cas Number: 221120-57-6 Compound CID: 712811

Formula: C₁₄H₁₃ClN₄S Molecular Weight: 304.79782

IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

SMILES: CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C

InChIKey: DTXISKFUVTXHTD-UHFFFAOYSA-N

InChI: InChI=1S/C14H13ClN4S/c1-9-7-10(2)19-13(16-9)17-18-14(19)20-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3

Synonyms: 3-[(2-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
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WL-309756
- 10mM in DMSO
Cas Number: 3149-90-4 Compound CID: 1082919

Formula: C₆H₅ClN₄O Molecular Weight: 184.58

IUPAC Name: 6-chloro-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

SMILES: CC1=C(C(=O)N2C(=N1)N=CN2)Cl

InChIKey: IRXVAONSVXJDSS-UHFFFAOYSA-N

InChI: InChI=1S/C6H5ClN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2H,1H3,(H,8,9,10)

Synonyms: 41081-76-9|6-chloro-5-methyl-4h-[1,2,4]triazolo[1,5-a]-pyrimidin-7-one|3149-90-4|6-chloro-5-methyl-1H-[1,2,4]triazolo...
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WL-231219
- 10mM in DMSO
Cas Number: 842955-63-9 Compound CID: 1092114

Formula: C₁₀H₁₂N₄O₂ Molecular Weight: 220.23

IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

SMILES: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O

InChIKey: NWSSSDXVQWXROX-UHFFFAOYSA-N

InChI: InChI=1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)14-10(13-6)11-5-12-14/h5H,3-4H2,1-2H3,(H,15,16)

Synonyms: 842955-63-9|3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid|3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]...
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WAY-604968
- 10mM in DMSO
Cas Number: 182199-66-2 Compound CID: 703820

Formula: C₁₄H₁₀N₄S Molecular Weight: 266.32

IUPAC Name: 5-methyl-12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

SMILES: CC1=NN=C2N1C=NC3=C2C(=CS3)C4=CC=CC=C4

InChIKey: SYSKSOXAKAVZPH-UHFFFAOYSA-N

InChI: InChI=1S/C14H10N4S/c1-9-16-17-13-12-11(10-5-3-2-4-6-10)7-19-14(12)15-8-18(9)13/h2-8H,1H3
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WAY-324979
- 10mM in DMSO
Cas Number: 221120-57-6 Compound CID: 712811

Formula: C₁₄H₁₃ClN₄S Molecular Weight: 304.79782

IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

SMILES: CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C

InChIKey: DTXISKFUVTXHTD-UHFFFAOYSA-N

InChI: InChI=1S/C14H13ClN4S/c1-9-7-10(2)19-13(16-9)17-18-14(19)20-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3
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WAY-312484
- 10mM in DMSO
Cas Number: 91769-08-3 Compound CID: 522990

Formula: C₁₃H₁₃N₅O Molecular Weight: 255.27522

IUPAC Name: N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

SMILES: CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)OC

InChIKey: DLVXCEBZMMWMQK-UHFFFAOYSA-N

InChI: InChI=1S/C13H13N5O/c1-9-7-12(18-13(16-9)14-8-15-18)17-10-3-5-11(19-2)6-4-10/h3-8,17H,1-2H3
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Trapidil
- 10mM in DMSO
Cas Number: 15421-84-8(DMSO) Compound CID: 5531

Formula: C₁₀H₁₅N₅ Molecular Weight: 205.26

IUPAC Name: N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

SMILES: CCN(CC)C1=CC(=NC2=NC=NN12)C

InChIKey: GSNOZLZNQMLSKJ-UHFFFAOYSA-N

InChI: InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3

Synonyms: trapidil|15421-84-8|Rocornal|Trapymin|Avantrin|Trapymine|N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine...
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