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

C100H87Br4Cl3F21N27O4 — CID 167581214

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

N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane (PubChem CID 167581214) has the molecular formula C100H87Br4Cl3F21N27O4 and a molecular weight of 2555.91 g/mol. Its IUPAC name is N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane.

Molecular Properties

• Compound Name: N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane
• PubChem CID: 167581214
• Molecular Formula: C100H87Br4Cl3F21N27O4
• Molecular Weight: 2555.91 g/mol
• Exact Mass: 2549.29
• IUPAC Name: N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane
• SMILES: C#CC1(C(F)(F)F)CC1.CCOC(C)(OCC)OCC.Cc1nnc2nc(N(CC(F)F)c3cncc(Br)c3)c3cc(F)ccc3n12.Cc1nnc2nc(N(CC(F)F)c3cncc(C#CC4(C(F)(F)F)CC4)c3)c3cc(F)ccc3n12.FC(F)CCc1cncc(Br)c1.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cncc(Br)c3)c2c1.NNO.NNc1nc(N(CC(F)F)c2cncc(Br)c2)c2cc(F)ccc2n1
• InChI: InChI=1S/C23H16F6N6.C17H12BrF3N6.C15H9BrClF3N4.C15H12BrF3N6.C8H8BrF2N.C8H3Cl2FN2.C8H18O3.C6H5F3.H4N2O/c1-13-32-33-21-31-20(17-9-15(24)2-3-18(17)35(13)21)34(12-19(25)26)16-8-14(10-30-11-16)4-5-22(6-7-22)23(27,28)29;1-9-24-25-17-23-16(13-5-11(19)2-3-14(13)27(9)17)26(8-15(20)21)12-4-10(18)6-22-7-12;16-8-3-10(6-21-5-8)24(7-13(19)20)14-11-4-9(18)1-2-12(11)22-15(17)23-14;16-8-3-10(6-21-5-8)25(7-13(18)19)14-11-4-9(17)1-2-12(11)22-15(23-14)24-20;9-7-3-6(4-12-5-7)1-2-8(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-5-9-8(4,10-6-2)11-7-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h2-3,8-11,19H,6-7,12H2,1H3;2-7,15H,8H2,1H3;1-6,13H,7H2;1-6,13H,7,20H2,(H,22,23,24);3-5,8H,1-2H2;1-3H;5-7H2,1-4H3;1H,3-4H2;2-3H,1H2
• InChIKey: HEYKWSHWUDSUIO-UHFFFAOYSA-N
• XLogP: 26.79
• TPSA: 364.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2555.91
LogP ≤ 5	26.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane?

The IUPAC name of N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane (CID 167581214) is N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane.

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

The canonical SMILES for N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane is C#CC1(C(F)(F)F)CC1.CCOC(C)(OCC)OCC.Cc1nnc2nc(N(CC(F)F)c3cncc(Br)c3)c3cc(F)ccc3n12.Cc1nnc2nc(N(CC(F)F)c3cncc(C#CC4(C(F)(F)F)CC4)c3)c3cc(F)ccc3n12.FC(F)CCc1cncc(Br)c1.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N(CC(F)F)c3cncc(Br)c3)c2c1.NNO.NNc1nc(N(CC(F)F)c2cncc(Br)c2)c2cc(F)ccc2n1.

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

The InChIKey is HEYKWSHWUDSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N6.C17H12BrF3N6.C15H9BrClF3N4.C15H12BrF3N6.C8H8BrF2N.C8H3Cl2FN2.C8H18O3.C6H5F3.H4N2O/c1-13-32-33-21-31-20(17-9-15(24)2-3-18(17)35(13)21)34(12-19(25)26)16-8-14(10-30-11-16)4-5-22(6-7-22)23(27,28)29;1-9-24-25-17-23-16(13-5-11(19)2-3-14(13)27(9)17)26(8-15(20)21)12-4-10(18)6-22-7-12;16-8-3-10(6-21-5-8)24(7-13(19)20)14-11-4-9(18)1-2-12(11)22-15(17)23-14;16-8-3-10(6-21-5-8)25(7-13(18)19)14-11-4-9(17)1-2-12(11)22-15(23-14)24-20;9-7-3-6(4-12-5-7)1-2-8(10)11;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-5-9-8(4,10-6-2)11-7-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h2-3,8-11,19H,6-7,12H2,1H3;2-7,15H,8H2,1H3;1-6,13H,7H2;1-6,13H,7,20H2,(H,22,23,24);3-5,8H,1-2H2;1-3H;5-7H2,1-4H3;1H,3-4H2;2-3H,1H2.

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

N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane has a molecular weight of 2555.91 g/mol, XLogP of 26.79, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-aminohydroxylamine;3-bromo-5-(3,3-difluoropropyl)pyridine;N-(5-bromo-3-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-2-hydrazinylquinazolin-4-amine;N-(5-bromo-3-pyridinyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-7-fluoro-1-methyl-N-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;1,1,1-triethoxyethane is sourced from PubChem (CID 167581214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).