N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline

C85H50Cl8F17I4N25OS — CID 167612740

IUPACN-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline
SMILESC.Fc1cc2c(Cl)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(-c4cnc(C5CC5)cn4)c3)C(F)(F)F)nc3nncn3c2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc3nncn3c2cc1Cl.NNO.NNc1nc(N(c2cccc(I)c2)C(F)(F)F)c2cc(F)c(Cl)cc2n1.S=C=Nc1cccc(I)c1
InChIInChI=1S/C23H14ClF4N7.C16H7ClF4IN5.C15H6Cl2F4IN3.C15H9ClF4IN5.C8H2Cl3FN2.C7H4INS.CH4.H4N2O/c24-16-8-20-15(7-17(16)25)21(32-22-33-31-11-34(20)22)35(23(26,27)28)14-3-1-2-13(6-14)19-10-29-18(9-30-19)12-4-5-12;17-11-6-13-10(5-12(11)18)14(24-15-25-23-7-26(13)15)27(16(19,20)21)9-3-1-2-8(22)4-9;16-10-6-12-9(5-11(10)18)13(24-14(17)23-12)25(15(19,20)21)8-3-1-2-7(22)4-8;16-10-6-12-9(5-11(10)17)13(24-14(23-12)25-22)26(15(18,19)20)8-3-1-2-7(21)4-8;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;8-6-2-1-3-7(4-6)9-5-10;;1-2-3/h1-3,6-12H,4-5H2;1-7H;1-6H;1-6H,22H2,(H,23,24,25);1-2H;1-4H;1H4;2-3H,1H2
InChIKeyLHHZUNPNPLINJG-UHFFFAOYSA-N
MW2583.78 g/mol
LogP28.93
Rot. Bonds12

About N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline

N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline (PubChem CID 167612740) has the molecular formula C85H50Cl8F17I4N25OS and a molecular weight of 2583.78 g/mol. Its IUPAC name is N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline.

Molecular Properties

Compound NameN-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline
PubChem CID167612740
Molecular FormulaC85H50Cl8F17I4N25OS
Molecular Weight2583.78 g/mol
Exact Mass2578.78
IUPAC NameN-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline
SMILESC.Fc1cc2c(Cl)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(-c4cnc(C5CC5)cn4)c3)C(F)(F)F)nc3nncn3c2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc3nncn3c2cc1Cl.NNO.NNc1nc(N(c2cccc(I)c2)C(F)(F)F)c2cc(F)c(Cl)cc2n1.S=C=Nc1cccc(I)c1
InChIInChI=1S/C23H14ClF4N7.C16H7ClF4IN5.C15H6Cl2F4IN3.C15H9ClF4IN5.C8H2Cl3FN2.C7H4INS.CH4.H4N2O/c24-16-8-20-15(7-17(16)25)21(32-22-33-31-11-34(20)22)35(23(26,27)28)14-3-1-2-13(6-14)19-10-29-18(9-30-19)12-4-5-12;17-11-6-13-10(5-12(11)18)14(24-15-25-23-7-26(13)15)27(16(19,20)21)9-3-1-2-8(22)4-9;16-10-6-12-9(5-11(10)18)13(24-14(17)23-12)25(15(19,20)21)8-3-1-2-7(22)4-8;16-10-6-12-9(5-11(10)17)13(24-14(23-12)25-22)26(15(18,19)20)8-3-1-2-7(21)4-8;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;8-6-2-1-3-7(4-6)9-5-10;;1-2-3/h1-3,6-12H,4-5H2;1-7H;1-6H;1-6H,22H2,(H,23,24,25);1-2H;1-4H;1H4;2-3H,1H2
InChIKeyLHHZUNPNPLINJG-UHFFFAOYSA-N
XLogP28.93
TPSA310.93 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.78
LogP ≤ 528.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline with MolForge

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Related Compounds

N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane
CID 167690407
N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-N-(3-fluoro-5-iodophenyl)-2-hydrazinyl-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-N-(3-fluoro-5-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-N-(3-fluoro-5-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;3-fluoro-5-iodoaniline;1-fluoro-3-iodo-5-isothiocyanatobenzene;methane;2,4,7-trichloroquinazoline
CID 167699775
N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene
CID 167676238
8-chloro-N-[3-[6-(difluoromethyl)-3-pyridinyl]phenyl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;(3E)-6-chloro-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-N-methyl-4H-isoquinolin-1-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine;2-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-iodo-N-methylaniline;2,4,7-trichloro-6-fluoroquinazoline
CID 172921064

Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline?
The IUPAC name of N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline (CID 167612740) is N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline.
What is the SMILES notation for N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline?
The canonical SMILES for N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline is C.Fc1cc2c(Cl)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(-c4cnc(C5CC5)cn4)c3)C(F)(F)F)nc3nncn3c2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc(Cl)nc2cc1Cl.Fc1cc2c(N(c3cccc(I)c3)C(F)(F)F)nc3nncn3c2cc1Cl.NNO.NNc1nc(N(c2cccc(I)c2)C(F)(F)F)c2cc(F)c(Cl)cc2n1.S=C=Nc1cccc(I)c1.
What is the InChIKey of N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline?
The InChIKey is LHHZUNPNPLINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N7.C16H7ClF4IN5.C15H6Cl2F4IN3.C15H9ClF4IN5.C8H2Cl3FN2.C7H4INS.CH4.H4N2O/c24-16-8-20-15(7-17(16)25)21(32-22-33-31-11-34(20)22)35(23(26,27)28)14-3-1-2-13(6-14)19-10-29-18(9-30-19)12-4-5-12;17-11-6-13-10(5-12(11)18)14(24-15-25-23-7-26(13)15)27(16(19,20)21)9-3-1-2-8(22)4-9;16-10-6-12-9(5-11(10)18)13(24-14(17)23-12)25(15(19,20)21)8-3-1-2-7(22)4-8;16-10-6-12-9(5-11(10)17)13(24-14(23-12)25-22)26(15(18,19)20)8-3-1-2-7(21)4-8;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;8-6-2-1-3-7(4-6)9-5-10;;1-2-3/h1-3,6-12H,4-5H2;1-7H;1-6H;1-6H,22H2,(H,23,24,25);1-2H;1-4H;1H4;2-3H,1H2.
What are the key properties of N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline?
N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline has a molecular weight of 2583.78 g/mol, XLogP of 28.93, 12 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline is sourced from PubChem (CID 167612740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).