4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C61H51Cl4F2N17O10 — CID 161388603

About 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 161388603) has the molecular formula C61H51Cl4F2N17O10 and a molecular weight of 1362.00 g/mol. Its IUPAC name is 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• PubChem CID: 161388603
• Molecular Formula: C61H51Cl4F2N17O10
• Molecular Weight: 1362.00 g/mol
• Exact Mass: 1359.27
• IUPAC Name: 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• SMILES: CCOC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C(=O)OCC.Cc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(F)c(F)c1.Cc1nn2c(N)c(C(=O)O)nnc2c1-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C18H16Cl2N4O4.C16H16N4O2.C14H10F2N4O2.C13H9Cl2N5O2/c1-4-27-17(25)14-15(18(26)28-5-2)24-16(22-21-14)13(9(3)23-24)10-6-7-11(19)12(20)8-10;1-8-5-6-12(7-9(8)2)13-10(3)19-20-11(4)14(16(21)22)17-18-15(13)20;1-6-11(8-3-4-9(15)10(16)5-8)13-18-17-12(14(21)22)7(2)20(13)19-6;1-5-9(6-2-3-7(14)8(15)4-6)12-18-17-10(13(21)22)11(16)20(12)19-5/h6-8H,4-5H2,1-3H3;5-7H,1-4H3,(H,21,22);3-5H,1-2H3,(H,21,22);2-4H,16H2,1H3,(H,21,22)
• InChIKey: VSRFFVGYIMFIDW-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 362.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.00
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The IUPAC name of 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 161388603) is 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

What is the SMILES notation for 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The canonical SMILES for 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is CCOC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C(=O)OCC.Cc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(F)c(F)c1.Cc1nn2c(N)c(C(=O)O)nnc2c1-c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The InChIKey is VSRFFVGYIMFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O4.C16H16N4O2.C14H10F2N4O2.C13H9Cl2N5O2/c1-4-27-17(25)14-15(18(26)28-5-2)24-16(22-21-14)13(9(3)23-24)10-6-7-11(19)12(20)8-10;1-8-5-6-12(7-9(8)2)13-10(3)19-20-11(4)14(16(21)22)17-18-15(13)20;1-6-11(8-3-4-9(15)10(16)5-8)13-18-17-12(14(21)22)7(2)20(13)19-6;1-5-9(6-2-3-7(14)8(15)4-6)12-18-17-10(13(21)22)11(16)20(12)19-5/h6-8H,4-5H2,1-3H3;5-7H,1-4H3,(H,21,22);3-5H,1-2H3,(H,21,22);2-4H,16H2,1H3,(H,21,22).

What are the key properties of 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 1362.00 g/mol, XLogP of 11.55, 11 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;diethyl 8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3,4-dicarboxylate;8-(3,4-difluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dimethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 161388603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).