3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane

C127H129Cl5N50O5 — CID 158387753

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane (PubChem CID 158387753) has the molecular formula C127H129Cl5N50O5 and a molecular weight of 2613.04 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane
• PubChem CID: 158387753
• Molecular Formula: C127H129Cl5N50O5
• Molecular Weight: 2613.04 g/mol
• Exact Mass: 2608.98
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane
• SMILES: C.C.C.C.C.CCc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CCCC3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2ccccn2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2cccnc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.Cc1n[nH]c(C)c1-c1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1
• InChI: InChI=1S/C29H29ClN10O.2C25H19ClN10O.C23H22ClN11O.C20H20ClN9O.5CH4/c1-18(28-37-36-25-12-11-24(38-40(25)28)34-22-6-4-5-21(30)15-22)33-29(41)26-27(31)32-16-23(35-26)20-9-7-19(8-10-20)17-39-13-2-3-14-39;1-15(24-34-33-21-10-9-20(35-36(21)24)31-18-6-2-5-17(26)12-18)30-25(37)22-23(27)29-14-19(32-22)8-7-16-4-3-11-28-13-16;1-15(24-34-33-21-11-10-20(35-36(21)24)31-18-7-4-5-16(26)13-18)30-25(37)22-23(27)29-14-19(32-22)9-8-17-6-2-3-12-28-17;1-11-19(12(2)31-30-11)16-10-26-21(25)20(29-16)23(36)27-13(3)22-33-32-18-8-7-17(34-35(18)22)28-15-6-4-5-14(24)9-15;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14;;;;;/h4-12,15-16,18H,2-3,13-14,17H2,1H3,(H2,31,32)(H,33,41)(H,34,38);2-6,9-15H,1H3,(H2,27,29)(H,30,37)(H,31,35);2-7,10-15H,1H3,(H2,27,29)(H,30,37)(H,31,35);4-10,13H,1-3H3,(H2,25,26)(H,27,36)(H,28,34)(H,30,31);4-11H,3H2,1-2H3,(H2,22,23)(H,24,31)(H,25,29);5*1H4/t18-;2*15-;13-;11-;;;;;/m11111...../s1
• InChIKey: GWOLIAWIGZZNLP-YWAWZEFXSA-N
• XLogP: 20.52
• TPSA: 737.75 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 49
• Rotatable Bonds: 30
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.04
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane?

The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane (CID 158387753) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane.

What is the SMILES notation for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane?

The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane is C.C.C.C.C.CCc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CCCC3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2ccccn2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#Cc2cccnc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.Cc1n[nH]c(C)c1-c1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.

What is the InChIKey of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane?

The InChIKey is GWOLIAWIGZZNLP-YWAWZEFXSA-N. The full InChI is InChI=1S/C29H29ClN10O.2C25H19ClN10O.C23H22ClN11O.C20H20ClN9O.5CH4/c1-18(28-37-36-25-12-11-24(38-40(25)28)34-22-6-4-5-21(30)15-22)33-29(41)26-27(31)32-16-23(35-26)20-9-7-19(8-10-20)17-39-13-2-3-14-39;1-15(24-34-33-21-10-9-20(35-36(21)24)31-18-6-2-5-17(26)12-18)30-25(37)22-23(27)29-14-19(32-22)8-7-16-4-3-11-28-13-16;1-15(24-34-33-21-11-10-20(35-36(21)24)31-18-7-4-5-16(26)13-18)30-25(37)22-23(27)29-14-19(32-22)9-8-17-6-2-3-12-28-17;1-11-19(12(2)31-30-11)16-10-26-21(25)20(29-16)23(36)27-13(3)22-33-32-18-8-7-17(34-35(18)22)28-15-6-4-5-14(24)9-15;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14;;;;;/h4-12,15-16,18H,2-3,13-14,17H2,1H3,(H2,31,32)(H,33,41)(H,34,38);2-6,9-15H,1H3,(H2,27,29)(H,30,37)(H,31,35);2-7,10-15H,1H3,(H2,27,29)(H,30,37)(H,31,35);4-10,13H,1-3H3,(H2,25,26)(H,27,36)(H,28,34)(H,30,31);4-11H,3H2,1-2H3,(H2,22,23)(H,24,31)(H,25,29);5*1H4/t18-;2*15-;13-;11-;;;;;/m11111...../s1.

What are the key properties of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane has a molecular weight of 2613.04 g/mol, XLogP of 20.52, 30 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-2-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-pyridin-3-ylethynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;methane is sourced from PubChem (CID 158387753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).