methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide

C102H105N31O9 — CID 158305221

About methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide

methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 158305221) has the molecular formula C102H105N31O9 and a molecular weight of 1909.17 g/mol. Its IUPAC name is methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide
• PubChem CID: 158305221
• Molecular Formula: C102H105N31O9
• Molecular Weight: 1909.17 g/mol
• Exact Mass: 1907.87
• IUPAC Name: methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide
• SMILES: C.C.C.C.C.CNC(=O)c1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCCC1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCOCC1.c1ccc(-c2ccc3nnc(COc4ccncc4)n3n2)cc1
• InChI: InChI=1S/C22H21N7O3.C22H21N7O2.C19H16N6O2.C17H14N6O.C17H13N5O.5CH4/c30-22(28-10-12-31-13-11-28)24-19-14-17(8-9-23-19)32-15-21-26-25-20-7-6-18(27-29(20)21)16-4-2-1-3-5-16;30-22(28-12-4-5-13-28)24-19-14-17(10-11-23-19)31-15-21-26-25-20-9-8-18(27-29(20)21)16-6-2-1-3-7-16;1-20-19(26)16-11-14(9-10-21-16)27-12-18-23-22-17-8-7-15(24-25(17)18)13-5-3-2-4-6-13;18-15-10-13(8-9-19-15)24-11-17-21-20-16-7-6-14(22-23(16)17)12-4-2-1-3-5-12;1-2-4-13(5-3-1)15-6-7-16-19-20-17(22(16)21-15)12-23-14-8-10-18-11-9-14;;;;;/h1-9,14H,10-13,15H2,(H,23,24,30);1-3,6-11,14H,4-5,12-13,15H2,(H,23,24,30);2-11H,12H2,1H3,(H,20,26);1-10H,11H2,(H2,18,19);1-11H,12H2;5*1H4
• InChIKey: GMZPFVHDTBITHZ-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 455.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.17
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide?

The IUPAC name of methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 158305221) is methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide?

The canonical SMILES for methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide is C.C.C.C.C.CNC(=O)c1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCCC1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCOCC1.c1ccc(-c2ccc3nnc(COc4ccncc4)n3n2)cc1.

What is the InChIKey of methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide?

The InChIKey is GMZPFVHDTBITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3.C22H21N7O2.C19H16N6O2.C17H14N6O.C17H13N5O.5CH4/c30-22(28-10-12-31-13-11-28)24-19-14-17(8-9-23-19)32-15-21-26-25-20-7-6-18(27-29(20)21)16-4-2-1-3-5-16;30-22(28-12-4-5-13-28)24-19-14-17(10-11-23-19)31-15-21-26-25-20-9-8-18(27-29(20)21)16-6-2-1-3-7-16;1-20-19(26)16-11-14(9-10-21-16)27-12-18-23-22-17-8-7-15(24-25(17)18)13-5-3-2-4-6-13;18-15-10-13(8-9-19-15)24-11-17-21-20-16-7-6-14(22-23(16)17)12-4-2-1-3-5-12;1-2-4-13(5-3-1)15-6-7-16-19-20-17(22(16)21-15)12-23-14-8-10-18-11-9-14;;;;;/h1-9,14H,10-13,15H2,(H,23,24,30);1-3,6-11,14H,4-5,12-13,15H2,(H,23,24,30);2-11H,12H2,1H3,(H,20,26);1-10H,11H2,(H2,18,19);1-11H,12H2;5*1H4.

What are the key properties of methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide?

methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 1909.17 g/mol, XLogP of 16.44, 23 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridine-2-carboxamide;6-phenyl-3-(pyridin-4-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]pyridin-2-amine;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 158305221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).