8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine

C63H55Cl7N16O4 — CID 159401648

About 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine

8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 159401648) has the molecular formula C63H55Cl7N16O4 and a molecular weight of 1348.41 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

• Compound Name: 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine
• PubChem CID: 159401648
• Molecular Formula: C63H55Cl7N16O4
• Molecular Weight: 1348.41 g/mol
• Exact Mass: 1344.24
• IUPAC Name: 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine
• SMILES: C=C(O)c1nnc2c(-c3cc(Cl)cc(Cl)c3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.C=C(OCC)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.C=C(OCC)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C
• InChI: InChI=1S/C17H16Cl2N4O.C16H15ClN4O.2C15H12Cl2N4O/c1-5-24-11(4)16-10(3)23-17(21-20-16)15(9(2)22-23)12-6-7-13(18)14(19)8-12;1-4-22-11(3)15-10(2)21-16(20-19-15)14(9-18-21)12-5-7-13(17)8-6-12;1-7-13(10-4-11(16)6-12(17)5-10)15-19-18-14(9(3)22)8(2)21(15)20-7;1-7-13(10-4-5-11(16)12(17)6-10)15-19-18-14(9(3)22)8(2)21(15)20-7/h6-8H,4-5H2,1-3H3;5-9H,3-4H2,1-2H3;2*4-6,22H,3H2,1-2H3
• InChIKey: LNKKQDHFSYAZMR-UHFFFAOYSA-N
• XLogP: 16.97
• TPSA: 231.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.41
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The IUPAC name of 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine (CID 159401648) is 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine.

What is the SMILES notation for 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The canonical SMILES for 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine is C=C(O)c1nnc2c(-c3cc(Cl)cc(Cl)c3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.C=C(OCC)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.C=C(OCC)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C.

What is the InChIKey of 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The InChIKey is LNKKQDHFSYAZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O.C16H15ClN4O.2C15H12Cl2N4O/c1-5-24-11(4)16-10(3)23-17(21-20-16)15(9(2)22-23)12-6-7-13(18)14(19)8-12;1-4-22-11(3)15-10(2)21-16(20-19-15)14(9-18-21)12-5-7-13(17)8-6-12;1-7-13(10-4-11(16)6-12(17)5-10)15-19-18-14(9(3)22)8(2)21(15)20-7;1-7-13(10-4-5-11(16)12(17)6-10)15-19-18-14(9(3)22)8(2)21(15)20-7/h6-8H,4-5H2,1-3H3;5-9H,3-4H2,1-2H3;2*4-6,22H,3H2,1-2H3.

What are the key properties of 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 1348.41 g/mol, XLogP of 16.97, 12 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chlorophenyl)-3-(1-ethoxyethenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine;1-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;8-(3,4-dichlorophenyl)-3-(1-ethoxyethenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 159401648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).