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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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

C99H88N30O8 — CID 159365094

About 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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-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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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 (PubChem CID 159365094) has the molecular formula C99H88N30O8 and a molecular weight of 1825.99 g/mol. Its IUPAC name is 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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.

Molecular Properties

• Compound Name: 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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
• PubChem CID: 159365094
• Molecular Formula: C99H88N30O8
• Molecular Weight: 1825.99 g/mol
• Exact Mass: 1824.74
• IUPAC Name: 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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
• SMILES: CNC(=O)c1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.O=C(Cc1cc(CCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCCC1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCOCC1.c1ccc(-c2ccc3nnc(COc4ccncc4)n3n2)cc1
• InChI: InChI=1S/C24H24N6O.C22H21N7O3.C19H16N6O2.C17H14N6O.C17H13N5O/c31-24(29-14-4-5-15-29)17-20-16-18(12-13-25-20)8-10-22-26-27-23-11-9-21(28-30(22)23)19-6-2-1-3-7-19;30-22(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;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/h1-3,6-7,9,11-13,16H,4-5,8,10,14-15,17H2;1-9,14H,10-13,15H2,(H,23,24,30);2-11H,12H2,1H3,(H,20,26);1-10H,11H2,(H2,18,19);1-11H,12H2
• InChIKey: LJAICFFETQIDQY-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 433.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.99
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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?

The IUPAC name of 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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 (CID 159365094) is 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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.

What is the SMILES notation for 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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?

The canonical SMILES for 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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 is CNC(=O)c1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1.O=C(Cc1cc(CCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCCC1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)N1CCOCC1.c1ccc(-c2ccc3nnc(COc4ccncc4)n3n2)cc1.

What is the InChIKey of 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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?

The InChIKey is LJAICFFETQIDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O.C22H21N7O3.C19H16N6O2.C17H14N6O.C17H13N5O/c31-24(29-14-4-5-15-29)17-20-16-18(12-13-25-20)8-10-22-26-27-23-11-9-21(28-30(22)23)19-6-2-1-3-7-19;30-22(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;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/h1-3,6-7,9,11-13,16H,4-5,8,10,14-15,17H2;1-9,14H,10-13,15H2,(H,23,24,30);2-11H,12H2,1H3,(H,20,26);1-10H,11H2,(H2,18,19);1-11H,12H2.

What are the key properties of 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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-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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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 has a molecular weight of 1825.99 g/mol, XLogP of 13.00, 24 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-[4-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-2-pyridinyl]-1-pyrrolidin-1-ylethanone;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 is sourced from PubChem (CID 159365094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).