N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane

C71H66Br4Cl3F12N21O4 — CID 167681248

About N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane

N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane (PubChem CID 167681248) has the molecular formula C71H66Br4Cl3F12N21O4 and a molecular weight of 1931.40 g/mol. Its IUPAC name is N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane.

Molecular Properties

• Compound Name: N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
• PubChem CID: 167681248
• Molecular Formula: C71H66Br4Cl3F12N21O4
• Molecular Weight: 1931.40 g/mol
• Exact Mass: 1925.12
• IUPAC Name: N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
• SMILES: CCOC(C)(OCC)OCC.Cc1nnc2nc(N(CC(F)F)c3ccnc(Br)c3)c3c(F)cccc3n12.FC(F)CCc1ccnc(Br)c1.Fc1cccc2nc(Cl)nc(Cl)c12.Fc1cccc2nc(Cl)nc(N(CC(F)F)c3ccnc(Br)c3)c12.NNO.NNc1nc(N(CC(F)F)c2ccnc(Br)c2)c2c(F)cccc2n1
• InChI: InChI=1S/C17H12BrF3N6.C15H9BrClF3N4.C15H12BrF3N6.C8H8BrF2N.C8H3Cl2FN2.C8H18O3.H4N2O/c1-9-24-25-17-23-16(15-11(19)3-2-4-12(15)27(9)17)26(8-14(20)21)10-5-6-22-13(18)7-10;16-11-6-8(4-5-21-11)24(7-12(19)20)14-13-9(18)2-1-3-10(13)22-15(17)23-14;16-11-6-8(4-5-21-11)25(7-12(18)19)14-13-9(17)2-1-3-10(13)22-15(23-14)24-20;9-7-5-6(3-4-12-7)1-2-8(10)11;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-5-9-8(4,10-6-2)11-7-3;1-2-3/h2-7,14H,8H2,1H3;1-6,12H,7H2;1-6,12H,7,20H2,(H,22,23,24);3-5,8H,1-2H2;1-3H;5-7H2,1-4H3;2-3H,1H2
• InChIKey: VOPZPFKUMOJGNH-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 305.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1931.40
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The IUPAC name of N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane (CID 167681248) is N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane.

What is the SMILES notation for N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The canonical SMILES for N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane is CCOC(C)(OCC)OCC.Cc1nnc2nc(N(CC(F)F)c3ccnc(Br)c3)c3c(F)cccc3n12.FC(F)CCc1ccnc(Br)c1.Fc1cccc2nc(Cl)nc(Cl)c12.Fc1cccc2nc(Cl)nc(N(CC(F)F)c3ccnc(Br)c3)c12.NNO.NNc1nc(N(CC(F)F)c2ccnc(Br)c2)c2c(F)cccc2n1.

What is the InChIKey of N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

The InChIKey is VOPZPFKUMOJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N6.C15H9BrClF3N4.C15H12BrF3N6.C8H8BrF2N.C8H3Cl2FN2.C8H18O3.H4N2O/c1-9-24-25-17-23-16(15-11(19)3-2-4-12(15)27(9)17)26(8-14(20)21)10-5-6-22-13(18)7-10;16-11-6-8(4-5-21-11)24(7-12(19)20)14-13-9(18)2-1-3-10(13)22-15(17)23-14;16-11-6-8(4-5-21-11)25(7-12(18)19)14-13-9(17)2-1-3-10(13)22-15(23-14)24-20;9-7-5-6(3-4-12-7)1-2-8(10)11;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-5-9-8(4,10-6-2)11-7-3;1-2-3/h2-7,14H,8H2,1H3;1-6,12H,7H2;1-6,12H,7,20H2,(H,22,23,24);3-5,8H,1-2H2;1-3H;5-7H2,1-4H3;2-3H,1H2.

What are the key properties of N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane?

N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane has a molecular weight of 1931.40 g/mol, XLogP of 19.61, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane is sourced from PubChem (CID 167681248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).