[3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine

C55H56Cl4F16N20O3 — CID 159882307

About [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine

[3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine (PubChem CID 159882307) has the molecular formula C55H56Cl4F16N20O3 and a molecular weight of 1490.97 g/mol. Its IUPAC name is [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine.

Molecular Properties

• Compound Name: [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
• PubChem CID: 159882307
• Molecular Formula: C55H56Cl4F16N20O3
• Molecular Weight: 1490.97 g/mol
• Exact Mass: 1488.33
• IUPAC Name: [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine
• SMILES: CCOC(OCC)OCC.CN1CCN(c2nc3c(F)c(C(F)(F)F)ccc3n3cnnc23)CC1.CN1CCNCC1.Fc1c(C(F)(F)F)ccc2c1nc(Cl)c1nncn12.Fc1c(C(F)(F)F)ccc2nc(Cl)c(Cl)nc12.NN.NNc1nc2ccc(C(F)(F)F)c(F)c2nc1Cl
• InChI: InChI=1S/C15H14F4N6.C10H3ClF4N4.C9H2Cl2F4N2.C9H5ClF4N4.C7H16O3.C5H12N2.H4N2/c1-23-4-6-24(7-5-23)13-14-22-20-8-25(14)10-3-2-9(15(17,18)19)11(16)12(10)21-13;11-8-9-18-16-3-19(9)5-2-1-4(10(13,14)15)6(12)7(5)17-8;10-7-8(11)17-6-4(16-7)2-1-3(5(6)12)9(13,14)15;10-7-8(18-15)16-4-2-1-3(9(12,13)14)5(11)6(4)17-7;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h2-3,8H,4-7H2,1H3;1-3H;1-2H;1-2H,15H2,(H,16,18);7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2
• InChIKey: NTRGRYKMOPDBSJ-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 277.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.97
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?

The IUPAC name of [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine (CID 159882307) is [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine.

What is the SMILES notation for [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?

The canonical SMILES for [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine is CCOC(OCC)OCC.CN1CCN(c2nc3c(F)c(C(F)(F)F)ccc3n3cnnc23)CC1.CN1CCNCC1.Fc1c(C(F)(F)F)ccc2c1nc(Cl)c1nncn12.Fc1c(C(F)(F)F)ccc2nc(Cl)c(Cl)nc12.NN.NNc1nc2ccc(C(F)(F)F)c(F)c2nc1Cl.

What is the InChIKey of [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?

The InChIKey is NTRGRYKMOPDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N6.C10H3ClF4N4.C9H2Cl2F4N2.C9H5ClF4N4.C7H16O3.C5H12N2.H4N2/c1-23-4-6-24(7-5-23)13-14-22-20-8-25(14)10-3-2-9(15(17,18)19)11(16)12(10)21-13;11-8-9-18-16-3-19(9)5-2-1-4(10(13,14)15)6(12)7(5)17-8;10-7-8(11)17-6-4(16-7)2-1-3(5(6)12)9(13,14)15;10-7-8(18-15)16-4-2-1-3(9(12,13)14)5(11)6(4)17-7;1-4-8-7(9-5-2)10-6-3;1-7-4-2-6-3-5-7;1-2/h2-3,8H,4-7H2,1H3;1-3H;1-2H;1-2H,15H2,(H,16,18);7H,4-6H2,1-3H3;6H,2-5H2,1H3;1-2H2.

What are the key properties of [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine?

[3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine has a molecular weight of 1490.97 g/mol, XLogP of 11.82, 8 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-5-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]hydrazine;4-chloro-6-fluoro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;6-fluoro-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;1-methylpiperazine is sourced from PubChem (CID 159882307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).