2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C106H69Cl6F3N34O7 — CID 163701722

About 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 163701722) has the molecular formula C106H69Cl6F3N34O7 and a molecular weight of 2200.66 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 163701722
• Molecular Formula: C106H69Cl6F3N34O7
• Molecular Weight: 2200.66 g/mol
• Exact Mass: 2196.42
• IUPAC Name: 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: CN(C)c1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.CNc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.Cc1ccc(-c2nc3c4cc(Cl)ccc4nc(N)n3n2)o1.Clc1ccc2nc(Nc3ccccc3)n3nc(-c4ccco4)nc3c2c1.Clc1ccc2ncn3nc(-c4ccco4)nc3c2c1.Nc1nc2ccc(C(F)(F)F)cc2c2nc(-c3ccco3)nn12.Nc1nc2ccc(Cl)cc2c2nc(-c3cc4ccccc4o3)nn12
• InChI: InChI=1S/C19H12ClN5O.C17H10ClN5O.C15H12ClN5O.2C14H10ClN5O.C14H8F3N5O.C13H7ClN4O/c20-12-8-9-15-14(11-12)18-23-17(16-7-4-10-26-16)24-25(18)19(22-15)21-13-5-2-1-3-6-13;18-10-5-6-12-11(8-10)16-21-15(22-23(16)17(19)20-12)14-7-9-3-1-2-4-13(9)24-14;1-20(2)15-17-11-6-5-9(16)8-10(11)14-18-13(19-21(14)15)12-4-3-7-22-12;1-7-2-5-11(21-7)12-18-13-9-6-8(15)3-4-10(9)17-14(16)20(13)19-12;1-16-14-17-10-5-4-8(15)7-9(10)13-18-12(19-20(13)14)11-3-2-6-21-11;15-14(16,17)7-3-4-9-8(6-7)12-20-11(10-2-1-5-23-10)21-22(12)13(18)19-9;14-8-3-4-10-9(6-8)13-16-12(11-2-1-5-19-11)17-18(13)7-15-10/h1-11H,(H,21,22);1-8H,(H2,19,20);3-8H,1-2H3;2-6H,1H3,(H2,16,17);2-7H,1H3,(H,16,17);1-6H,(H2,18,19);1-7H
• InChIKey: KBOUWYZOZUCJNW-UHFFFAOYSA-N
• XLogP: 24.76
• TPSA: 498.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 11
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.66
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 163701722) is 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CN(C)c1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.CNc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.Cc1ccc(-c2nc3c4cc(Cl)ccc4nc(N)n3n2)o1.Clc1ccc2nc(Nc3ccccc3)n3nc(-c4ccco4)nc3c2c1.Clc1ccc2ncn3nc(-c4ccco4)nc3c2c1.Nc1nc2ccc(C(F)(F)F)cc2c2nc(-c3ccco3)nn12.Nc1nc2ccc(Cl)cc2c2nc(-c3cc4ccccc4o3)nn12.

What is the InChIKey of 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is KBOUWYZOZUCJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O.C17H10ClN5O.C15H12ClN5O.2C14H10ClN5O.C14H8F3N5O.C13H7ClN4O/c20-12-8-9-15-14(11-12)18-23-17(16-7-4-10-26-16)24-25(18)19(22-15)21-13-5-2-1-3-6-13;18-10-5-6-12-11(8-10)16-21-15(22-23(16)17(19)20-12)14-7-9-3-1-2-4-13(9)24-14;1-20(2)15-17-11-6-5-9(16)8-10(11)14-18-13(19-21(14)15)12-4-3-7-22-12;1-7-2-5-11(21-7)12-18-13-9-6-8(15)3-4-10(9)17-14(16)20(13)19-12;1-16-14-17-10-5-4-8(15)7-9(10)13-18-12(19-20(13)14)11-3-2-6-21-11;15-14(16,17)7-3-4-9-8(6-7)12-20-11(10-2-1-5-23-10)21-22(12)13(18)19-9;14-8-3-4-10-9(6-8)13-16-12(11-2-1-5-19-11)17-18(13)7-15-10/h1-11H,(H,21,22);1-8H,(H2,19,20);3-8H,1-2H3;2-6H,1H3,(H2,16,17);2-7H,1H3,(H,16,17);1-6H,(H2,18,19);1-7H.

What are the key properties of 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 2200.66 g/mol, XLogP of 24.76, 11 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 163701722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).