N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane

C106H111Cl3N34O9Sn — CID 157122751

About N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane

N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane (PubChem CID 157122751) has the molecular formula C106H111Cl3N34O9Sn and a molecular weight of 2230.35 g/mol. Its IUPAC name is N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane.

Molecular Properties

• Compound Name: N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane
• PubChem CID: 157122751
• Molecular Formula: C106H111Cl3N34O9Sn
• Molecular Weight: 2230.35 g/mol
• Exact Mass: 2228.74
• IUPAC Name: N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane
• SMILES: CC(=O)Nc1cc(N)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(C(C)=O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.CC(=O)Nc1cc(Nc2nc(Cl)nn3ccc(C(C)=O)c23)ccn1.CC(=O)c1ccn2nc(Cl)nc(Cl)c12.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCc1ccn2nc(-c3ccccn3)nc(Nc3ccnc(NC(C)=O)c3)c12
• InChI: InChI=1S/C20H17N7O2.C20H19N7O.C19H17N7O2.C15H13ClN6O2.C8H5Cl2N3O.C7H9N3O.C5H4N.3C4H9.Sn/c1-12(28)15-7-10-27-18(15)20(25-19(26-27)16-5-3-4-8-21-16)24-14-6-9-22-17(11-14)23-13(2)29;1-3-14-8-11-27-18(14)20(25-19(26-27)16-6-4-5-9-21-16)24-15-7-10-22-17(12-15)23-13(2)28;1-12(28)22-16-10-14(5-8-21-16)23-19-17-13(11-27)6-9-26(17)25-18(24-19)15-4-2-3-7-20-15;1-8(23)11-4-6-22-13(11)14(20-15(16)21-22)19-10-3-5-17-12(7-10)18-9(2)24;1-4(14)5-2-3-13-6(5)7(9)11-8(10)12-13;1-5(11)10-7-4-6(8)2-3-9-7;1-2-4-6-5-3-1;3*1-3-4-2;/h3-11H,1-2H3,(H2,22,23,24,25,26,29);4-12H,3H2,1-2H3,(H2,22,23,24,25,26,28);2-10,27H,11H2,1H3,(H2,21,22,23,24,25,28);3-7H,1-2H3,(H2,17,18,19,20,21,24);2-3H,1H3;2-4H,1H3,(H3,8,9,10,11);1-4H;3*1,3-4H2,2H3
• InChIKey: AIDXLNXXDYHLFQ-UHFFFAOYSA-N
• XLogP: 19.60
• TPSA: 558.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.35
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane?

The IUPAC name of N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane (CID 157122751) is N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane.

What is the SMILES notation for N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane?

The canonical SMILES for N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane is CC(=O)Nc1cc(N)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(C(C)=O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.CC(=O)Nc1cc(Nc2nc(Cl)nn3ccc(C(C)=O)c23)ccn1.CC(=O)c1ccn2nc(Cl)nc(Cl)c12.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCc1ccn2nc(-c3ccccn3)nc(Nc3ccnc(NC(C)=O)c3)c12.

What is the InChIKey of N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane?

The InChIKey is AIDXLNXXDYHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2.C20H19N7O.C19H17N7O2.C15H13ClN6O2.C8H5Cl2N3O.C7H9N3O.C5H4N.3C4H9.Sn/c1-12(28)15-7-10-27-18(15)20(25-19(26-27)16-5-3-4-8-21-16)24-14-6-9-22-17(11-14)23-13(2)29;1-3-14-8-11-27-18(14)20(25-19(26-27)16-6-4-5-9-21-16)24-15-7-10-22-17(12-15)23-13(2)28;1-12(28)22-16-10-14(5-8-21-16)23-19-17-13(11-27)6-9-26(17)25-18(24-19)15-4-2-3-7-20-15;1-8(23)11-4-6-22-13(11)14(20-15(16)21-22)19-10-3-5-17-12(7-10)18-9(2)24;1-4(14)5-2-3-13-6(5)7(9)11-8(10)12-13;1-5(11)10-7-4-6(8)2-3-9-7;1-2-4-6-5-3-1;3*1-3-4-2;/h3-11H,1-2H3,(H2,22,23,24,25,26,29);4-12H,3H2,1-2H3,(H2,22,23,24,25,26,28);2-10,27H,11H2,1H3,(H2,21,22,23,24,25,28);3-7H,1-2H3,(H2,17,18,19,20,21,24);2-3H,1H3;2-4H,1H3,(H3,8,9,10,11);1-4H;3*1,3-4H2,2H3;.

What are the key properties of N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane?

N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane has a molecular weight of 2230.35 g/mol, XLogP of 19.60, 31 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 157122751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).