N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline

C92H81Br4Cl8F6N27O4 — CID 167663557

About N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline

N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline (PubChem CID 167663557) has the molecular formula C92H81Br4Cl8F6N27O4 and a molecular weight of 2346.07 g/mol. Its IUPAC name is N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline.

Molecular Properties

• Compound Name: N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline
• PubChem CID: 167663557
• Molecular Formula: C92H81Br4Cl8F6N27O4
• Molecular Weight: 2346.07 g/mol
• Exact Mass: 2337.11
• IUPAC Name: N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline
• SMILES: C#CC1(C(F)(F)F)CC1.CCOC(OCC)OCC.CCc1ccnc(Br)c1.CN(c1ccnc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1ccnc(Br)c1)c1nc(NN)nc2cc(Cl)ccc12.CN(c1ccnc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.CN(c1ccnc(C#CC2(C(F)(F)F)CC2)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.NNO
• InChI: InChI=1S/C21H14ClF3N6.C15H10BrClN6.C14H9BrCl2N4.C14H12BrClN6.C8H3Cl3N2.C7H8BrN.C7H16O3.C6H5F3.H4N2O/c1-30(15-5-9-26-14(11-15)4-6-20(7-8-20)21(23,24)25)18-16-3-2-13(22)10-17(16)31-12-27-29-19(31)28-18;1-22(10-4-5-18-13(16)7-10)14-11-3-2-9(17)6-12(11)23-8-19-21-15(23)20-14;1-21(9-4-5-18-12(15)7-9)13-10-3-2-8(16)6-11(10)19-14(17)20-13;1-22(9-4-5-18-12(15)7-9)13-10-3-2-8(16)6-11(10)19-14(20-13)21-17;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;1-2-6-3-4-9-7(8)5-6;1-4-8-7(9-5-2)10-6-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h2-3,5,9-12H,7-8H2,1H3;2-8H,1H3;2-7H,1H3;2-7H,17H2,1H3,(H,19,20,21);1-3H;3-5H,2H2,1H3;7H,4-6H2,1-3H3;1H,3-4H2;2-3H,1H2
• InChIKey: SHNAJQKQVVWLCT-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 364.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.07
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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

Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline?

The IUPAC name of N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline (CID 167663557) is N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline.

What is the SMILES notation for N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline?

The canonical SMILES for N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline is C#CC1(C(F)(F)F)CC1.CCOC(OCC)OCC.CCc1ccnc(Br)c1.CN(c1ccnc(Br)c1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1ccnc(Br)c1)c1nc(NN)nc2cc(Cl)ccc12.CN(c1ccnc(Br)c1)c1nc2nncn2c2cc(Cl)ccc12.CN(c1ccnc(C#CC2(C(F)(F)F)CC2)c1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.NNO.

What is the InChIKey of N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline?

The InChIKey is SHNAJQKQVVWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N6.C15H10BrClN6.C14H9BrCl2N4.C14H12BrClN6.C8H3Cl3N2.C7H8BrN.C7H16O3.C6H5F3.H4N2O/c1-30(15-5-9-26-14(11-15)4-6-20(7-8-20)21(23,24)25)18-16-3-2-13(22)10-17(16)31-12-27-29-19(31)28-18;1-22(10-4-5-18-13(16)7-10)14-11-3-2-9(17)6-12(11)23-8-19-21-15(23)20-14;1-21(9-4-5-18-12(15)7-9)13-10-3-2-8(16)6-11(10)19-14(17)20-13;1-22(9-4-5-18-12(15)7-9)13-10-3-2-8(16)6-11(10)19-14(20-13)21-17;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;1-2-6-3-4-9-7(8)5-6;1-4-8-7(9-5-2)10-6-3;1-2-5(3-4-5)6(7,8)9;1-2-3/h2-3,5,9-12H,7-8H2,1H3;2-8H,1H3;2-7H,1H3;2-7H,17H2,1H3,(H,19,20,21);1-3H;3-5H,2H2,1H3;7H,4-6H2,1-3H3;1H,3-4H2;2-3H,1H2.

What are the key properties of N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline?

N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline has a molecular weight of 2346.07 g/mol, XLogP of 25.18, 16 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline is sourced from PubChem (CID 167663557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).