azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C68H73Cl2N17O11 — CID 158563274

About azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 158563274) has the molecular formula C68H73Cl2N17O11 and a molecular weight of 1375.35 g/mol. Its IUPAC name is azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

• Compound Name: azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• PubChem CID: 158563274
• Molecular Formula: C68H73Cl2N17O11
• Molecular Weight: 1375.35 g/mol
• Exact Mass: 1373.51
• IUPAC Name: azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• SMILES: CCCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)[O-])nnc23)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)(C)C)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)C)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1Cc1ccc(Cl)c(Cl)c1.[NH4+]
• InChI: InChI=1S/2C18H20N4O3.C17H18N4O3.C15H12Cl2N4O2.H3N/c1-10-14(12-6-8-13(9-7-12)25-18(3,4)5)16-20-19-15(17(23)24)11(2)22(16)21-10;1-4-5-10-25-14-8-6-13(7-9-14)15-11(2)21-22-12(3)16(18(23)24)19-20-17(15)22;1-9(2)24-13-7-5-12(6-8-13)14-10(3)20-21-11(4)15(17(22)23)18-19-16(14)21;1-7-10(5-9-3-4-11(16)12(17)6-9)14-19-18-13(15(22)23)8(2)21(14)20-7;/h6-9H,1-5H3,(H,23,24);6-9H,4-5,10H2,1-3H3,(H,23,24);5-9H,1-4H3,(H,22,23);3-4,6H,5H2,1-2H3,(H,22,23);1H3
• InChIKey: OWSPWAWUIUSFQA-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 388.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.35
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The IUPAC name of azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 158563274) is azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

What is the SMILES notation for azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The canonical SMILES for azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is CCCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)[O-])nnc23)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)(C)C)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC(C)C)cc1.Cc1nn2c(C)c(C(=O)O)nnc2c1Cc1ccc(Cl)c(Cl)c1.[NH4+].

What is the InChIKey of azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The InChIKey is OWSPWAWUIUSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N4O3.C17H18N4O3.C15H12Cl2N4O2.H3N/c1-10-14(12-6-8-13(9-7-12)25-18(3,4)5)16-20-19-15(17(23)24)11(2)22(16)21-10;1-4-5-10-25-14-8-6-13(7-9-14)15-11(2)21-22-12(3)16(18(23)24)19-20-17(15)22;1-9(2)24-13-7-5-12(6-8-13)14-10(3)20-21-11(4)15(17(22)23)18-19-16(14)21;1-7-10(5-9-3-4-11(16)12(17)6-9)14-19-18-13(15(22)23)8(2)21(14)20-7;/h6-9H,1-5H3,(H,23,24);6-9H,4-5,10H2,1-3H3,(H,23,24);5-9H,1-4H3,(H,22,23);3-4,6H,5H2,1-2H3,(H,22,23);1H3.

What are the key properties of azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 1375.35 g/mol, XLogP of 11.84, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 158563274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).