N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

C92H126N30O3 — CID 159308841

About N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone

N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (PubChem CID 159308841) has the molecular formula C92H126N30O3 and a molecular weight of 1700.23 g/mol. Its IUPAC name is N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

• Compound Name: N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
• PubChem CID: 159308841
• Molecular Formula: C92H126N30O3
• Molecular Weight: 1700.23 g/mol
• Exact Mass: 1699.06
• IUPAC Name: N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
• SMILES: CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.Cc1ccnc2c1ncn2C(C)C
• InChI: InChI=1S/C11H14N2.C10H15N5.3C10H13N3.C10H12N2.C9H12N4.C8H12N2O.2C7H11N3O/c1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;2*4-5H,1-3H3
• InChIKey: LCGRKECAVHCQSO-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 409.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.23
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?

The IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone (CID 159308841) is N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone.

What is the SMILES notation for N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?

The canonical SMILES for N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is CC(=O)c1cn(C(C)C)nn1.CC(=O)c1cnn(C(C)C)c1.CC(=O)c1ncn(C(C)C)n1.CC(C)C1=CCc2c(N)ccnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.Cc1ccnc2c1ncn2C(C)C.

What is the InChIKey of N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?

The InChIKey is LCGRKECAVHCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H15N5.3C10H13N3.C10H12N2.C9H12N4.C8H12N2O.2C7H11N3O/c1-7(2)8-3-4-9-10(12)5-6-13-11(8)9;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(3)4-5-11-10(9)13;2*1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)10-5-8(4-9-10)7(3)11;1-5(2)10-4-8-7(9-10)6(3)11;1-5(2)10-4-7(6(3)11)8-9-10/h3,5-7H,4H2,1-2H3,(H2,12,13);5-7H,1-4H3;4-7H,1-3H3;2*3-7H,11H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H2,10,11);4-6H,1-3H3;2*4-5H,1-3H3.

What are the key properties of N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone?

N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 1700.23 g/mol, XLogP of 18.45, 14 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 159308841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).