N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine

C94H106FN19O5 — CID 158524927

About N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine

N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158524927) has the molecular formula C94H106FN19O5 and a molecular weight of 1601.01 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

• Compound Name: N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine
• PubChem CID: 158524927
• Molecular Formula: C94H106FN19O5
• Molecular Weight: 1601.01 g/mol
• Exact Mass: 1599.86
• IUPAC Name: N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)CC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5n[nH]nc5c4)c3c2C)cc1
• InChI: InChI=1S/C24H25FN4O.C24H26N4O2.C23H23N7O.C23H32N4O/c1-6-30-20-11-9-19(10-12-20)29-16(4)22-15(3)27-28-24(23(22)17(29)5)26-18-8-7-14(2)21(25)13-18;1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18;1-5-31-18-9-7-17(8-10-18)30-14(3)21-13(2)25-28-23(22(21)15(30)4)24-16-6-11-19-20(12-16)27-29-26-19;1-8-28-20-11-9-19(10-12-20)27-17(6)21-16(5)25-26-23(22(21)18(27)7)24-15(4)13-14(2)3/h7-13H,6H2,1-5H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27);6-12H,5H2,1-4H3,(H,24,28)(H,26,27,29);9-12,14-15H,8,13H2,1-7H3,(H,24,26)
• InChIKey: HMRDWXXPNZJCHM-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 258.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.01
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine?

The IUPAC name of N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine (CID 158524927) is N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine.

What is the SMILES notation for N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine?

The canonical SMILES for N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(NC(C)CC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(C)c(F)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(OC)cc4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5n[nH]nc5c4)c3c2C)cc1.

What is the InChIKey of N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine?

The InChIKey is HMRDWXXPNZJCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O.C24H26N4O2.C23H23N7O.C23H32N4O/c1-6-30-20-11-9-19(10-12-20)29-16(4)22-15(3)27-28-24(23(22)17(29)5)26-18-8-7-14(2)21(25)13-18;1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18;1-5-31-18-9-7-17(8-10-18)30-14(3)21-13(2)25-28-23(22(21)15(30)4)24-16-6-11-19-20(12-16)27-29-26-19;1-8-28-20-11-9-19(10-12-20)27-17(6)21-16(5)25-26-23(22(21)18(27)7)24-15(4)13-14(2)3/h7-13H,6H2,1-5H3,(H,26,28);7-14H,6H2,1-5H3,(H,25,27);6-12H,5H2,1-4H3,(H,24,28)(H,26,27,29);9-12,14-15H,8,13H2,1-7H3,(H,24,26).

What are the key properties of N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine?

N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1601.01 g/mol, XLogP of 21.78, 23 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2H-benzotriazol-5-yl)-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(4-methylpentan-2-yl)pyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158524927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).