2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

C65H57Cl3N14O2S — CID 159113315

About 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide

2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (PubChem CID 159113315) has the molecular formula C65H57Cl3N14O2S and a molecular weight of 1204.69 g/mol. Its IUPAC name is 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159113315
• Molecular Formula: C65H57Cl3N14O2S
• Molecular Weight: 1204.69 g/mol
• Exact Mass: 1202.36
• IUPAC Name: 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
• SMILES: CC(N)c1ccccc1.CC(Nc1nc(-c2cncc(S(N)(=O)=O)c2)nn2ccc(-c3ccccc3)c12)c1ccccc1.CC(Nc1nc(Cl)nn2ccc(-c3ccccc3)c12)c1ccccc1.Clc1nc(Cl)c2c(-c3ccccc3)ccn2n1
• InChI: InChI=1S/C25H22N6O2S.C20H17ClN4.C12H7Cl2N3.C8H11N/c1-17(18-8-4-2-5-9-18)28-25-23-22(19-10-6-3-7-11-19)12-13-31(23)30-24(29-25)20-14-21(16-27-15-20)34(26,32)33;1-14(15-8-4-2-5-9-15)22-19-18-17(16-10-6-3-7-11-16)12-13-25(18)24-20(21)23-19;13-11-10-9(8-4-2-1-3-5-8)6-7-17(10)16-12(14)15-11;1-7(9)8-5-3-2-4-6-8/h2-17H,1H3,(H2,26,32,33)(H,28,29,30);2-14H,1H3,(H,22,23,24);1-7H;2-7H,9H2,1H3
• InChIKey: KETRTODNUWSDQM-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 213.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.69
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide (CID 159113315) is 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is CC(N)c1ccccc1.CC(Nc1nc(-c2cncc(S(N)(=O)=O)c2)nn2ccc(-c3ccccc3)c12)c1ccccc1.CC(Nc1nc(Cl)nn2ccc(-c3ccccc3)c12)c1ccccc1.Clc1nc(Cl)c2c(-c3ccccc3)ccn2n1.

What is the InChIKey of 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?

The InChIKey is KETRTODNUWSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S.C20H17ClN4.C12H7Cl2N3.C8H11N/c1-17(18-8-4-2-5-9-18)28-25-23-22(19-10-6-3-7-11-19)12-13-31(23)30-24(29-25)20-14-21(16-27-15-20)34(26,32)33;1-14(15-8-4-2-5-9-15)22-19-18-17(16-10-6-3-7-11-16)12-13-25(18)24-20(21)23-19;13-11-10-9(8-4-2-1-3-5-8)6-7-17(10)16-12(14)15-11;1-7(9)8-5-3-2-4-6-8/h2-17H,1H3,(H2,26,32,33)(H,28,29,30);2-14H,1H3,(H,22,23,24);1-7H;2-7H,9H2,1H3.

What are the key properties of 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide?

2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide has a molecular weight of 1204.69 g/mol, XLogP of 14.91, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;1-phenylethanamine;5-[5-phenyl-4-(1-phenylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159113315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).