1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane

C70H74Cl3N17O7 — CID 162081610

About 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane

1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane (PubChem CID 162081610) has the molecular formula C70H74Cl3N17O7 and a molecular weight of 1371.83 g/mol. Its IUPAC name is 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane.

Molecular Properties

• Compound Name: 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane
• PubChem CID: 162081610
• Molecular Formula: C70H74Cl3N17O7
• Molecular Weight: 1371.83 g/mol
• Exact Mass: 1369.50
• IUPAC Name: 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane
• SMILES: C.C=C(O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1N.C=C(O)c1nnc2c(-c3ccc(Cl)c(OCC)c3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(OC(C)C)cc3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(OC4CCCC4)cc3)c(C)nn2c1C
• InChI: InChI=1S/C20H22N4O2.C18H20N4O2.C17H17ClN4O2.C14H11Cl2N5O.CH4/c1-12-18(20-22-21-19(14(3)25)13(2)24(20)23-12)15-8-10-17(11-9-15)26-16-6-4-5-7-16;1-10(2)24-15-8-6-14(7-9-15)16-11(3)21-22-12(4)17(13(5)23)19-20-18(16)22;1-5-24-14-8-12(6-7-13(14)18)15-9(2)21-22-10(3)16(11(4)23)19-20-17(15)22;1-6-11(8-3-4-9(15)10(16)5-8)14-19-18-12(7(2)22)13(17)21(14)20-6;/h8-11,16,25H,3-7H2,1-2H3;6-10,23H,5H2,1-4H3;6-8,23H,4-5H2,1-3H3;3-5,22H,2,17H2,1H3;1H4
• InChIKey: ZCKMOGQDRMDAKR-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 306.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.83
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane?

The IUPAC name of 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane (CID 162081610) is 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane.

What is the SMILES notation for 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane?

The canonical SMILES for 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane is C.C=C(O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1N.C=C(O)c1nnc2c(-c3ccc(Cl)c(OCC)c3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(OC(C)C)cc3)c(C)nn2c1C.C=C(O)c1nnc2c(-c3ccc(OC4CCCC4)cc3)c(C)nn2c1C.

What is the InChIKey of 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane?

The InChIKey is ZCKMOGQDRMDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.C18H20N4O2.C17H17ClN4O2.C14H11Cl2N5O.CH4/c1-12-18(20-22-21-19(14(3)25)13(2)24(20)23-12)15-8-10-17(11-9-15)26-16-6-4-5-7-16;1-10(2)24-15-8-6-14(7-9-15)16-11(3)21-22-12(4)17(13(5)23)19-20-18(16)22;1-5-24-14-8-12(6-7-13(14)18)15-9(2)21-22-10(3)16(11(4)23)19-20-17(15)22;1-6-11(8-3-4-9(15)10(16)5-8)14-19-18-12(7(2)22)13(17)21(14)20-6;/h8-11,16,25H,3-7H2,1-2H3;6-10,23H,5H2,1-4H3;6-8,23H,4-5H2,1-3H3;3-5,22H,2,17H2,1H3;1H4.

What are the key properties of 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane?

1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane has a molecular weight of 1371.83 g/mol, XLogP of 16.12, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-8-(3,4-dichlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;1-[4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]ethenol;methane is sourced from PubChem (CID 162081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).