2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate

C62H50Cl8N18O8 — CID 161036526

About 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate

2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate (PubChem CID 161036526) has the molecular formula C62H50Cl8N18O8 and a molecular weight of 1458.82 g/mol. Its IUPAC name is 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate
• PubChem CID: 161036526
• Molecular Formula: C62H50Cl8N18O8
• Molecular Weight: 1458.82 g/mol
• Exact Mass: 1454.16
• IUPAC Name: 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate
• SMILES: CNC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.COC(=O)C(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)C(=O)O)nnc2c1-c1ccc(Cl)c(Cl)c1.Cc1nn2c(C)c(C(=O)N(C)C)nnc2c1-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C16H15Cl2N5O.C16H12Cl2N4O3.C15H13Cl2N5O.C15H10Cl2N4O3/c1-8-13(10-5-6-11(17)12(18)7-10)15-20-19-14(16(24)22(3)4)9(2)23(15)21-8;1-7-12(9-4-5-10(17)11(18)6-9)15-20-19-13(8(2)22(15)21-7)14(23)16(24)25-3;1-7-12(9-4-5-10(16)11(17)6-9)14-20-19-13(15(23)18-3)8(2)22(14)21-7;1-6-11(8-3-4-9(16)10(17)5-8)14-19-18-12(13(22)15(23)24)7(2)21(14)20-6/h5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H,18,23);3-5H,1-2H3,(H,23,24)
• InChIKey: UAIBBKLKPWBTJP-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 319.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.82
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate?

The IUPAC name of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate (CID 161036526) is 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate.

What is the SMILES notation for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate?

The canonical SMILES for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate is CNC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.COC(=O)C(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)C(=O)O)nnc2c1-c1ccc(Cl)c(Cl)c1.Cc1nn2c(C)c(C(=O)N(C)C)nnc2c1-c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate?

The InChIKey is UAIBBKLKPWBTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O.C16H12Cl2N4O3.C15H13Cl2N5O.C15H10Cl2N4O3/c1-8-13(10-5-6-11(17)12(18)7-10)15-20-19-14(16(24)22(3)4)9(2)23(15)21-8;1-7-12(9-4-5-10(17)11(18)6-9)15-20-19-13(8(2)22(15)21-7)14(23)16(24)25-3;1-7-12(9-4-5-10(16)11(17)6-9)14-20-19-13(15(23)18-3)8(2)22(14)21-7;1-6-11(8-3-4-9(16)10(17)5-8)14-19-18-12(13(22)15(23)24)7(2)21(14)20-6/h5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H,18,23);3-5H,1-2H3,(H,23,24).

What are the key properties of 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate?

2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate has a molecular weight of 1458.82 g/mol, XLogP of 12.54, 10 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetic acid;8-(3,4-dichlorophenyl)-N,N,4,7-tetramethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;8-(3,4-dichlorophenyl)-N,4,7-trimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide;methyl 2-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-2-oxoacetate is sourced from PubChem (CID 161036526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).