N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane

C103H78Br4Cl8F26N22O4 — CID 167710443

About N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane

N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane (PubChem CID 167710443) has the molecular formula C103H78Br4Cl8F26N22O4 and a molecular weight of 2785.09 g/mol. Its IUPAC name is N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane.

Molecular Properties

• Compound Name: N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
• PubChem CID: 167710443
• Molecular Formula: C103H78Br4Cl8F26N22O4
• Molecular Weight: 2785.09 g/mol
• Exact Mass: 2776.04
• IUPAC Name: N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
• SMILES: C#CC1(C(F)(F)F)CC1.CCOC(C)(OCC)OCC.Fc1cc(Br)cc(CCC(F)F)c1.Fc1cc(Br)cc(N(CC(F)F)c2nc(Cl)nc3cc(Cl)cc(F)c23)c1.Fc1cc(Br)cc(N(CC(F)F)c2nc3nncn3c3cc(Cl)cc(F)c23)c1.Fc1cc(C#CC2(C(F)(F)F)CC2)cc(N(CC(F)F)c2nc3nncn3c3cc(Cl)cc(F)c23)c1.Fc1cc(Cl)cc2nc(Cl)nc(Cl)c12.NNO.NNc1nc(N(CC(F)F)c2cc(F)cc(Br)c2)c2c(F)cc(Cl)cc2n1
• InChI: InChI=1S/C23H13ClF7N5.C17H9BrClF4N5.C16H8BrCl2F4N3.C16H11BrClF4N5.C9H8BrF3.C8H2Cl3FN2.C8H18O3.C6H5F3.H4N2O/c24-13-7-16(26)19-17(8-13)36-11-32-34-21(36)33-20(19)35(10-18(27)28)15-6-12(5-14(25)9-15)1-2-22(3-4-22)23(29,30)31;18-8-1-10(20)5-11(2-8)27(6-14(22)23)16-15-12(21)3-9(19)4-13(15)28-7-24-26-17(28)25-16;17-7-1-9(20)5-10(2-7)26(6-13(22)23)15-14-11(21)3-8(18)4-12(14)24-16(19)25-15;17-7-1-9(19)5-10(2-7)27(6-13(21)22)15-14-11(20)3-8(18)4-12(14)24-16(25-15)26-23;10-7-3-6(1-2-9(12)13)4-8(11)5-7;9-3-1-4(12)6-5(2-3)13-8(11)14-7(6)10;1-5-9-8(4,10-6-2)11-7-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h5-9,11,18H,3-4,10H2;1-5,7,14H,6H2;1-5,13H,6H2;1-5,13H,6,23H2,(H,24,25,26);3-5,9H,1-2H2;1-2H;5-7H2,1-4H3;1H,3-4H2;2-3H,1H2
• InChIKey: ZTGKVMHKVURPKS-UHFFFAOYSA-N
• XLogP: 33.16
• TPSA: 300.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.09
LogP ≤ 5	33.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The IUPAC name of N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane (CID 167710443) is N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane.

What is the SMILES notation for N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The canonical SMILES for N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane is C#CC1(C(F)(F)F)CC1.CCOC(C)(OCC)OCC.Fc1cc(Br)cc(CCC(F)F)c1.Fc1cc(Br)cc(N(CC(F)F)c2nc(Cl)nc3cc(Cl)cc(F)c23)c1.Fc1cc(Br)cc(N(CC(F)F)c2nc3nncn3c3cc(Cl)cc(F)c23)c1.Fc1cc(C#CC2(C(F)(F)F)CC2)cc(N(CC(F)F)c2nc3nncn3c3cc(Cl)cc(F)c23)c1.Fc1cc(Cl)cc2nc(Cl)nc(Cl)c12.NNO.NNc1nc(N(CC(F)F)c2cc(F)cc(Br)c2)c2c(F)cc(Cl)cc2n1.

What is the InChIKey of N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The InChIKey is ZTGKVMHKVURPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF7N5.C17H9BrClF4N5.C16H8BrCl2F4N3.C16H11BrClF4N5.C9H8BrF3.C8H2Cl3FN2.C8H18O3.C6H5F3.H4N2O/c24-13-7-16(26)19-17(8-13)36-11-32-34-21(36)33-20(19)35(10-18(27)28)15-6-12(5-14(25)9-15)1-2-22(3-4-22)23(29,30)31;18-8-1-10(20)5-11(2-8)27(6-14(22)23)16-15-12(21)3-9(19)4-13(15)28-7-24-26-17(28)25-16;17-7-1-9(20)5-10(2-7)26(6-13(22)23)15-14-11(21)3-8(18)4-12(14)24-16(19)25-15;17-7-1-9(19)5-10(2-7)27(6-13(21)22)15-14-11(20)3-8(18)4-12(14)24-16(25-15)26-23;10-7-3-6(1-2-9(12)13)4-8(11)5-7;9-3-1-4(12)6-5(2-3)13-8(11)14-7(6)10;1-5-9-8(4,10-6-2)11-7-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h5-9,11,18H,3-4,10H2;1-5,7,14H,6H2;1-5,13H,6H2;1-5,13H,6,23H2,(H,24,25,26);3-5,9H,1-2H2;1-2H;5-7H2,1-4H3;1H,3-4H2;2-3H,1H2.

What are the key properties of N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane has a molecular weight of 2785.09 g/mol, XLogP of 33.16, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane is sourced from PubChem (CID 167710443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).