2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one

C133H191ClN59O14+ — CID 158330428

About 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one

2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one (PubChem CID 158330428) has the molecular formula C133H191ClN59O14+ and a molecular weight of 2877.86 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one.

Molecular Properties

• Compound Name: 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
• PubChem CID: 158330428
• Molecular Formula: C133H191ClN59O14+
• Molecular Weight: 2877.86 g/mol
• Exact Mass: 2875.59
• IUPAC Name: 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
• SMILES: CC(C)(C)n1c(N)nc(=O)c2cccnc21.CC(C)(C)n1c(N)nc2cccnc21.CC(C)(C)n1c(N)nn2ncc(Cl)c2c1=O.CC(C)(C)n1ncc2c(c1=O)CCNC2.Cc1c(N)nn2ncn(C(C)(C)C)c(=O)c12.Cc1nc2oc(=O)n(C)c2c(=O)n1C(C)(C)C.Cn1c2c(=O)n(C(C)(C)C)c(N)nc2c[n+]1C.Cn1cnc2c(C#N)nn(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1nnc2nc(N)n(C(C)(C)C)c(=O)c21.[2H]c1nc2nc([2H])n(C)c2c(=O)n1C(C)(C)C
• InChI: InChI=1S/C11H17N5O.C11H13N5O.C11H14N4O.C11H15N3O3.C11H17N3O.4C10H15N5O.C10H14N4O.C10H14N4.C9H12ClN5O.C9H14N6O/c1-11(2,3)16-9(17)8-7(13-10(16)12)6-14(4)15(8)5;1-11(2,3)16-10(17)9-8(7(5-12)14-16)13-6-15(9)4;1-11(2,3)15-8-7(5-4-6-13-8)9(16)14-10(15)12;1-6-12-8-7(13(5)10(16)17-8)9(15)14(6)11(2,3)4;1-11(2,3)14-10(15)9-4-5-12-6-8(9)7-13-14;3*1-10(2,3)15-8(16)7-6(13-9(15)11)5-12-14(7)4;1-6-7-9(16)14(10(2,3)4)5-12-15(7)13-8(6)11;1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-10(2,3)14-8-7(13-9(14)11)5-4-6-12-8;1-9(2,3)14-7(16)6-5(10)4-12-15(6)13-8(14)11;1-9(2,3)15-7(16)5-6(11-8(15)10)12-13-14(5)4/h6H,1-5H3,(H-,12,13,17);6H,1-4H3;4-6H,1-3H3,(H2,12,14,16);1-5H3;7,12H,4-6H2,1-3H3;4*5H,1-4H3,(H2,11,13);5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);4H,1-3H3,(H2,11,13);1-4H3,(H2,10,11)/p+1/i;;;;;;;;;5D,6D
• InChIKey: UGLJIVAWHKGRSO-CFSARZKPSA-O
• XLogP: 8.51
• TPSA: 930.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 72
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2877.86
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?

The IUPAC name of 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one (CID 158330428) is 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one.

What is the SMILES notation for 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?

The canonical SMILES for 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one is CC(C)(C)n1c(N)nc(=O)c2cccnc21.CC(C)(C)n1c(N)nc2cccnc21.CC(C)(C)n1c(N)nn2ncc(Cl)c2c1=O.CC(C)(C)n1ncc2c(c1=O)CCNC2.Cc1c(N)nn2ncn(C(C)(C)C)c(=O)c12.Cc1nc2oc(=O)n(C)c2c(=O)n1C(C)(C)C.Cn1c2c(=O)n(C(C)(C)C)c(N)nc2c[n+]1C.Cn1cnc2c(C#N)nn(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21.Cn1nnc2nc(N)n(C(C)(C)C)c(=O)c21.[2H]c1nc2nc([2H])n(C)c2c(=O)n1C(C)(C)C.

What is the InChIKey of 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?

The InChIKey is UGLJIVAWHKGRSO-CFSARZKPSA-O. The full InChI is InChI=1S/C11H17N5O.C11H13N5O.C11H14N4O.C11H15N3O3.C11H17N3O.4C10H15N5O.C10H14N4O.C10H14N4.C9H12ClN5O.C9H14N6O/c1-11(2,3)16-9(17)8-7(13-10(16)12)6-14(4)15(8)5;1-11(2,3)16-10(17)9-8(7(5-12)14-16)13-6-15(9)4;1-11(2,3)15-8-7(5-4-6-13-8)9(16)14-10(15)12;1-6-12-8-7(13(5)10(16)17-8)9(15)14(6)11(2,3)4;1-11(2,3)14-10(15)9-4-5-12-6-8(9)7-13-14;3*1-10(2,3)15-8(16)7-6(13-9(15)11)5-12-14(7)4;1-6-7-9(16)14(10(2,3)4)5-12-15(7)13-8(6)11;1-10(2,3)14-6-12-8-7(9(14)15)13(4)5-11-8;1-10(2,3)14-8-7(13-9(14)11)5-4-6-12-8;1-9(2,3)14-7(16)6-5(10)4-12-15(6)13-8(14)11;1-9(2,3)15-7(16)5-6(11-8(15)10)12-13-14(5)4/h6H,1-5H3,(H-,12,13,17);6H,1-4H3;4-6H,1-3H3,(H2,12,14,16);1-5H3;7,12H,4-6H2,1-3H3;4*5H,1-4H3,(H2,11,13);5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);4H,1-3H3,(H2,11,13);1-4H3,(H2,10,11)/p+1/i;;;;;;;;;5D,6D;;;.

What are the key properties of 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one?

2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one has a molecular weight of 2877.86 g/mol, XLogP of 8.51, 0 rotatable bonds, 10 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-tert-butyl-5-chloropyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1,2-dimethylpyrazolo[4,5-d]pyrimidin-2-ium-7-one;tris(5-amino-6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one);6-amino-3-tert-butyl-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;5-amino-6-tert-butyl-1-methyltriazolo[4,5-d]pyrimidin-7-one;2-amino-1-tert-butylpyrido[2,3-d]pyrimidin-4-one;1-tert-butyl-2,8-dideuterio-7-methylpurin-6-one;6-tert-butyl-1,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione;3-tert-butylimidazo[4,5-b]pyridin-2-amine;5-tert-butyl-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;2-tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 158330428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).