4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C89H75BrClFN38O6 — CID 158328356

About 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 158328356) has the molecular formula C89H75BrClFN38O6 and a molecular weight of 1907.19 g/mol. Its IUPAC name is 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

• Compound Name: 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• PubChem CID: 158328356
• Molecular Formula: C89H75BrClFN38O6
• Molecular Weight: 1907.19 g/mol
• Exact Mass: 1904.56
• IUPAC Name: 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• SMILES: CCn1c(Br)nc2c(N)ncnc21.Nc1nc(NCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12.Nc1nc2c(cnn2CCCC2C=CC=CC2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(-c3ccco3)nn12
• InChI: InChI=1S/C19H19N7O.C18H15N7O.C17H12FN7O.C15H13N7O2.C13H8ClN5O.C7H8BrN5/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13;19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14;18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13;16-13-19-14(17-8-9-3-5-10(23)6-4-9)20-15-18-12(21-22(13)15)11-2-1-7-24-11;14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9;1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h1-3,5-6,9,11-13H,4,7-8,10H2,(H2,20,23);1-7,10-11H,8-9H2,(H2,19,22);1-7,9H,8H2,(H2,19,21,22);1-7,23H,8H2,(H3,16,17,18,19,20,21);1-6H,(H2,15,16);3H,2H2,1H3,(H2,9,10,11)
• InChIKey: GPRRBGIYRMIREA-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 579.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.19
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The IUPAC name of 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 158328356) is 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

What is the SMILES notation for 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The canonical SMILES for 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is CCn1c(Br)nc2c(N)ncnc21.Nc1nc(NCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12.Nc1nc2c(cnn2CCCC2C=CC=CC2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12.Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(-c3ccco3)nn12.

What is the InChIKey of 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The InChIKey is GPRRBGIYRMIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.C18H15N7O.C17H12FN7O.C15H13N7O2.C13H8ClN5O.C7H8BrN5/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13;19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14;18-11-5-3-10(4-6-11)8-24-9-12-14(22-24)21-17(19)25-16(12)20-15(23-25)13-2-1-7-26-13;16-13-19-14(17-8-9-3-5-10(23)6-4-9)20-15-18-12(21-22(13)15)11-2-1-7-24-11;14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9;1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h1-3,5-6,9,11-13H,4,7-8,10H2,(H2,20,23);1-7,10-11H,8-9H2,(H2,19,22);1-7,9H,8H2,(H2,19,21,22);1-7,23H,8H2,(H3,16,17,18,19,20,21);1-6H,(H2,15,16);3H,2H2,1H3,(H2,9,10,11).

What are the key properties of 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 1907.19 g/mol, XLogP of 13.93, 18 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]phenol;8-bromo-9-ethylpurin-6-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;10-(3-cyclohexa-2,4-dien-1-ylpropyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;11-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine;4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 158328356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).