2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C156H205ClF4N78O13S — CID 157116318

IUPAC2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N5O.C10H13N3O.C9H11FN4O.2C9H13N5.4C9H12N4O.C9H12N4S.C8H9ClN4O.C8H10FN5O.C8H10FN5.C8H9FN4O.C8H11N5O.C8H11N5.2C8H10N4O/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5-6H,4H2,1-3H3,(H2,11,13,14);4-6H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H3,11,12,13,15);4-6H,1-3H3,(H,10,11,13);4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);2*3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13)
InChIKeyAHLFRDXBFHYIKK-UHFFFAOYSA-N
MW3524.40 g/mol
LogP19.32
Rot. Bonds23

About 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 157116318) has the molecular formula C156H205ClF4N78O13S and a molecular weight of 3524.40 g/mol. Its IUPAC name is 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID157116318
Molecular FormulaC156H205ClF4N78O13S
Molecular Weight3524.40 g/mol
Exact Mass3521.71
IUPAC Name2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N5O.C10H13N3O.C9H11FN4O.2C9H13N5.4C9H12N4O.C9H12N4S.C8H9ClN4O.C8H10FN5O.C8H10FN5.C8H9FN4O.C8H11N5O.C8H11N5.2C8H10N4O/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5-6H,4H2,1-3H3,(H2,11,13,14);4-6H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H3,11,12,13,15);4-6H,1-3H3,(H,10,11,13);4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);2*3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13)
InChIKeyAHLFRDXBFHYIKK-UHFFFAOYSA-N
XLogP19.32
TPSA1203.41 Ų
H-Bond Donors20
H-Bond Acceptors81
Rotatable Bonds23
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.40
LogP ≤ 519.32
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1081

Analyze 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157410545
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-chloro-9-propan-2-ylpurine;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;N-methyl-9-propan-2-ylpurin-2-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 157651159
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;6-chloro-9-propan-2-ylpurine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158094624
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158108596
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158598123
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158649782
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 159104381
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 159221785
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 159262868
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;N-methyl-9-propan-2-ylpurin-2-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 159459972
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;tris(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 159473024
N'-(2-amino-5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)methanesulfonohydrazide;N'-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)-N'-methylmethanesulfonohydrazide;6-ethoxy-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;9-propan-2-ylpurin-2-amine;9-propan-2-yl-1H-purin-6-one
CID 159739535

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 157116318) is 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1c(F)nc2c(=O)[nH]c(N)nc21.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cc(F)c2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(=O)[nH]c(Cl)nc21.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(=O)cc(N)[nH]c21.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is AHLFRDXBFHYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.C10H13N3O.C9H11FN4O.2C9H13N5.4C9H12N4O.C9H12N4S.C8H9ClN4O.C8H10FN5O.C8H10FN5.C8H9FN4O.C8H11N5O.C8H11N5.2C8H10N4O/c1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-3-5(10)6-7(14)12-9(11)13-8(6)15;1-6(2)14-5-12-7-4-11-9(10-3)13-8(7)14;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-3(2)14-5-4(11-7(14)9)6(15)13-8(10)12-5;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5-6H,4H2,1-3H3,(H2,11,13,14);4-6H,1-3H3,(H,11,12,14);3-4H,1-2H3,(H3,11,12,13,15);4-6H,1-3H3,(H,10,11,13);4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-5H,1-3H3,(H,11,12,14);2*3-5H,1-2H3,(H3,10,12,14);4-6H,1-3H3;3-4H,1-2H3,(H,11,12,14);3H,1-2H3,(H3,10,12,13,15);3-4H,1-2H3,(H2,10,11,12);3-4H,1-2H3,(H,11,12,14);4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,11,13);3-5H,1-2H3,(H,9,13).
What are the key properties of 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 3524.40 g/mol, XLogP of 19.32, 23 rotatable bonds, 20 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-9-propan-2-yl-1H-purin-6-one;2-amino-5-fluoro-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-chloro-9-propan-2-yl-1H-purin-6-one;6-ethoxy-9-propan-2-ylpurin-2-amine;8-fluoro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methoxy-9-propan-2-ylpurine;2-methyl-9-propan-2-ylpurin-6-amine;N-methyl-9-propan-2-ylpurin-2-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;6-methylsulfanyl-9-propan-2-ylpurine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 157116318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).