1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione

C115H160Cl2F3N39O16 — CID 159339520

About 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione

1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione (PubChem CID 159339520) has the molecular formula C115H160Cl2F3N39O16 and a molecular weight of 2471.70 g/mol. Its IUPAC name is 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

• Compound Name: 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione
• PubChem CID: 159339520
• Molecular Formula: C115H160Cl2F3N39O16
• Molecular Weight: 2471.70 g/mol
• Exact Mass: 2469.23
• IUPAC Name: 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione
• SMILES: Cn1c(=O)cnn(CCCCCl)c1=O.Cn1c(=O)cnn(CCCCN2CCN(Cc3ccccc3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc(F)n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc([18F])n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc([N+](=O)[O-])n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCNCC2)c1=O.Fc1cccc(N2CCNCC2)n1.O=[N+]([O-])c1cccc(Cl)n1.c1ccc(CN2CCNCC2)cc1
• InChI: InChI=1S/C19H27N5O2.2C17H23FN6O2.C17H23N7O4.C12H21N5O2.C11H16N2.C9H12FN3.C8H12ClN3O2.C5H3ClN2O2/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-17-7-3-2-4-8-17;2*1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15;1-20-16(25)13-18-23(17(20)26)8-3-2-7-21-9-11-22(12-10-21)14-5-4-6-15(19-14)24(27)28;1-15-11(18)10-14-17(12(15)19)7-3-2-6-16-8-4-13-5-9-16;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;1-11-7(13)6-10-12(8(11)14)5-3-2-4-9;6-4-2-1-3-5(7-4)8(9)10/h2-4,7-8,15H,5-6,9-14,16H2,1H3;2*4-6,13H,2-3,7-12H2,1H3;4-6,13H,2-3,7-12H2,1H3;10,13H,2-9H2,1H3;1-5,12H,6-10H2;1-3,11H,4-7H2;6H,2-5H2,1H3;1-3H/i;18-1
• InChIKey: LFYRYPQDHQIRDT-BCDKMCPHSA-N
• XLogP: 2.50
• TPSA: 563.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 53
• Rotatable Bonds: 39
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2471.70
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione?

The IUPAC name of 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione (CID 159339520) is 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione.

What is the SMILES notation for 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione?

The canonical SMILES for 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(CCCCCl)c1=O.Cn1c(=O)cnn(CCCCN2CCN(Cc3ccccc3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc(F)n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc([18F])n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCN(c3cccc([N+](=O)[O-])n3)CC2)c1=O.Cn1c(=O)cnn(CCCCN2CCNCC2)c1=O.Fc1cccc(N2CCNCC2)n1.O=[N+]([O-])c1cccc(Cl)n1.c1ccc(CN2CCNCC2)cc1.

What is the InChIKey of 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione?

The InChIKey is LFYRYPQDHQIRDT-BCDKMCPHSA-N. The full InChI is InChI=1S/C19H27N5O2.2C17H23FN6O2.C17H23N7O4.C12H21N5O2.C11H16N2.C9H12FN3.C8H12ClN3O2.C5H3ClN2O2/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-17-7-3-2-4-8-17;2*1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15;1-20-16(25)13-18-23(17(20)26)8-3-2-7-21-9-11-22(12-10-21)14-5-4-6-15(19-14)24(27)28;1-15-11(18)10-14-17(12(15)19)7-3-2-6-16-8-4-13-5-9-16;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;1-11-7(13)6-10-12(8(11)14)5-3-2-4-9;6-4-2-1-3-5(7-4)8(9)10/h2-4,7-8,15H,5-6,9-14,16H2,1H3;2*4-6,13H,2-3,7-12H2,1H3;4-6,13H,2-3,7-12H2,1H3;10,13H,2-9H2,1H3;1-5,12H,6-10H2;1-3,11H,4-7H2;6H,2-5H2,1H3;1-3H/i;18-1;;;;;;;.

What are the key properties of 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione?

1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione has a molecular weight of 2471.70 g/mol, XLogP of 2.50, 39 rotatable bonds, 3 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpiperazine;2-[4-(4-benzylpiperazin-1-yl)butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-(4-chlorobutyl)-4-methyl-1,2,4-triazine-3,5-dione;2-chloro-6-nitropyridine;1-(6-fluoro-2-pyridinyl)piperazine;2-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione;4-methyl-2-[4-[4-(6-nitro-2-pyridinyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione;4-methyl-2-(4-piperazin-1-ylbutyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 159339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).