5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C106H96N22O9S3 — CID 159689614

About 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 159689614) has the molecular formula C106H96N22O9S3 and a molecular weight of 1918.28 g/mol. Its IUPAC name is 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 159689614
• Molecular Formula: C106H96N22O9S3
• Molecular Weight: 1918.28 g/mol
• Exact Mass: 1916.69
• IUPAC Name: 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CC(=O)NS(=O)(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)c1.COc1ncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)cc1S(=O)(=O)NC(C)(C)C.COc1ncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)cc1S(C)(=O)=O.Cc1cc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)ccn1
• InChI: InChI=1S/C29H30N6O3S.C26H22N6O3S.C26H23N5O3S.C25H21N5/c1-29(2,3)34-39(36,37)24-17-22(19-31-28(24)38-4)26-32-27(30-18-20-11-7-5-8-12-20)25-23(15-16-35(25)33-26)21-13-9-6-10-14-21;1-18(33)31-36(34,35)22-14-21(16-27-17-22)25-29-26(28-15-19-8-4-2-5-9-19)24-23(12-13-32(24)30-25)20-10-6-3-7-11-20;1-34-26-22(35(2,32)33)15-20(17-28-26)24-29-25(27-16-18-9-5-3-6-10-18)23-21(13-14-31(23)30-24)19-11-7-4-8-12-19;1-18-16-21(12-14-26-18)24-28-25(27-17-19-8-4-2-5-9-19)23-22(13-15-30(23)29-24)20-10-6-3-7-11-20/h5-17,19,34H,18H2,1-4H3,(H,30,32,33);2-14,16-17H,15H2,1H3,(H,31,33)(H,28,29,30);3-15,17H,16H2,1-2H3,(H,27,29,30);2-16H,17H2,1H3,(H,27,28,29)
• InChIKey: MWFXOUFCYFWGSA-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 382.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.28
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 159689614) is 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(=O)NS(=O)(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)c1.COc1ncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)cc1S(=O)(=O)NC(C)(C)C.COc1ncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)cc1S(C)(=O)=O.Cc1cc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)ccn1.

What is the InChIKey of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is MWFXOUFCYFWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3S.C26H22N6O3S.C26H23N5O3S.C25H21N5/c1-29(2,3)34-39(36,37)24-17-22(19-31-28(24)38-4)26-32-27(30-18-20-11-7-5-8-12-20)25-23(15-16-35(25)33-26)21-13-9-6-10-14-21;1-18(33)31-36(34,35)22-14-21(16-27-17-22)25-29-26(28-15-19-8-4-2-5-9-19)24-23(12-13-32(24)30-25)20-10-6-3-7-11-20;1-34-26-22(35(2,32)33)15-20(17-28-26)24-29-25(27-16-18-9-5-3-6-10-18)23-21(13-14-31(23)30-24)19-11-7-4-8-12-19;1-18-16-21(12-14-26-18)24-28-25(27-17-19-8-4-2-5-9-19)23-22(13-15-30(23)29-24)20-10-6-3-7-11-20/h5-17,19,34H,18H2,1-4H3,(H,30,32,33);2-14,16-17H,15H2,1H3,(H,31,33)(H,28,29,30);3-15,17H,16H2,1-2H3,(H,27,29,30);2-16H,17H2,1H3,(H,27,28,29).

What are the key properties of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?

5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1918.28 g/mol, XLogP of 18.91, 27 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-tert-butyl-2-methoxypyridine-3-sulfonamide;N-[[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfonyl]acetamide;N-benzyl-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-2-(2-methyl-4-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 159689614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).