sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride

C95H131Cl4F5N27NaO12 — CID 161063693

About sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride

sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride (PubChem CID 161063693) has the molecular formula C95H131Cl4F5N27NaO12 and a molecular weight of 2103.06 g/mol. Its IUPAC name is sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride
• PubChem CID: 161063693
• Molecular Formula: C95H131Cl4F5N27NaO12
• Molecular Weight: 2103.06 g/mol
• Exact Mass: 2099.90
• IUPAC Name: sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.CCOC(OCC)OCC.Cc1cc2c(cc1F)nc(N1CCN(C(=O)OC(C)(C)C)CC1)c1nncn12.Cc1cc2c(cc1F)nc(N1CCNCC1)c1nncn12.Cc1cc2nc(CN)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1F.Cc1cc2nc(Cl)c(Cl)nc2cc1F.Cc1cc2nc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1F.Cl.NN.[Na+].[OH-]
• InChI: InChI=1S/C19H23FN6O2.C19H26FN5O2.C18H22ClFN4O2.C14H15FN6.C9H5Cl2FN2.C9H18N2O2.C7H16O3.ClH.H4N2.Na.H2O/c1-12-9-15-14(10-13(12)20)22-16(17-23-21-11-26(15)17)24-5-7-25(8-6-24)18(27)28-19(2,3)4;1-12-9-14-15(10-13(12)20)23-17(16(11-21)22-14)24-5-7-25(8-6-24)18(26)27-19(2,3)4;1-11-9-13-14(10-12(11)20)22-16(15(19)21-13)23-5-7-24(8-6-23)17(25)26-18(2,3)4;1-9-6-12-11(7-10(9)15)18-13(14-19-17-8-21(12)14)20-4-2-16-3-5-20;1-4-2-6-7(3-5(4)12)14-9(11)8(10)13-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-8-7(9-5-2)10-6-3;;1-2;;/h9-11H,5-8H2,1-4H3;9-10H,5-8,11,21H2,1-4H3;9-10H,5-8H2,1-4H3;6-8,16H,2-5H2,1H3;2-3H,1H3;10H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H;1-2H2;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: PCVZVZDHPSJYSN-UHFFFAOYSA-M
• XLogP: 11.96
• TPSA: 454.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.06
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride?

The IUPAC name of sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride (CID 161063693) is sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride.

What is the SMILES notation for sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride?

The canonical SMILES for sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride is CC(C)(C)OC(=O)N1CCNCC1.CCOC(OCC)OCC.Cc1cc2c(cc1F)nc(N1CCN(C(=O)OC(C)(C)C)CC1)c1nncn12.Cc1cc2c(cc1F)nc(N1CCNCC1)c1nncn12.Cc1cc2nc(CN)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1F.Cc1cc2nc(Cl)c(Cl)nc2cc1F.Cc1cc2nc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)nc2cc1F.Cl.NN.[Na+].[OH-].

What is the InChIKey of sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride?

The InChIKey is PCVZVZDHPSJYSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23FN6O2.C19H26FN5O2.C18H22ClFN4O2.C14H15FN6.C9H5Cl2FN2.C9H18N2O2.C7H16O3.ClH.H4N2.Na.H2O/c1-12-9-15-14(10-13(12)20)22-16(17-23-21-11-26(15)17)24-5-7-25(8-6-24)18(27)28-19(2,3)4;1-12-9-14-15(10-13(12)20)23-17(16(11-21)22-14)24-5-7-25(8-6-24)18(26)27-19(2,3)4;1-11-9-13-14(10-12(11)20)22-16(15(19)21-13)23-5-7-24(8-6-23)17(25)26-18(2,3)4;1-9-6-12-11(7-10(9)15)18-13(14-19-17-8-21(12)14)20-4-2-16-3-5-20;1-4-2-6-7(3-5(4)12)14-9(11)8(10)13-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-8-7(9-5-2)10-6-3;;1-2;;/h9-11H,5-8H2,1-4H3;9-10H,5-8,11,21H2,1-4H3;9-10H,5-8H2,1-4H3;6-8,16H,2-5H2,1H3;2-3H,1H3;10H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H;1-2H2;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride?

sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride has a molecular weight of 2103.06 g/mol, XLogP of 11.96, 11 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride is sourced from PubChem (CID 161063693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).