General Information of the Compound
| Compound ID |
CP0028721
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| Compound Name |
2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
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| Synonyms |
2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-9H-purin-6-amine
2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
496955-42-1
9H-Purin-6-amine, 2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-
AKOS030562134
AS-35290
BDBM50176058
CHEMBL197669
CTK1D0597
DTXSID60432000
GTPL5613
L001675
SB16783
SCHEMBL5362208
ST 1535
ST-1535
ST1535
ZINC1554291
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| Structure |
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| Formula |
C12H16N8
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| Molecular Weight |
272.316
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| Canonical SMILES |
CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
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| InChI |
InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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| InChIKey |
CYYQMAWUIRPCNW-UHFFFAOYSA-N
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| CAS |
496955-42-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound