9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C85H57Cl4F6N29O7 — CID 163624928

About 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 163624928) has the molecular formula C85H57Cl4F6N29O7 and a molecular weight of 1852.39 g/mol. Its IUPAC name is 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 163624928
• Molecular Formula: C85H57Cl4F6N29O7
• Molecular Weight: 1852.39 g/mol
• Exact Mass: 1849.37
• IUPAC Name: 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: COc1ccc2nc(N)n3nc(-c4ccco4)nc3c2c1.Cc1cc(C)c(-c2nc3c4cc(Cl)ccc4nc(N)n3n2)o1.Cc1nc2cccc(C(F)(F)F)c2c2nc(-c3ccco3)nn12.Cn1cccc1-c1nc2c3cc(Cl)ccc3nc(N)n2n1.Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3ccco3)nn12.O=c1[nH]c2ccc(Cl)c(Cl)c2c2nc(-c3ccco3)nn12
• InChI: InChI=1S/C15H12ClN5O.C15H9F3N4O.C14H11ClN6.C14H8F3N5O.C14H11N5O2.C13H6Cl2N4O2/c1-7-5-8(2)22-12(7)13-19-14-10-6-9(16)3-4-11(10)18-15(17)21(14)20-13;1-8-19-10-5-2-4-9(15(16,17)18)12(10)14-20-13(21-22(8)14)11-6-3-7-23-11;1-20-6-2-3-11(20)12-18-13-9-7-8(15)4-5-10(9)17-14(16)21(13)19-12;15-14(16,17)7-3-1-4-8-10(7)12-20-11(9-5-2-6-23-9)21-22(12)13(18)19-8;1-20-8-4-5-10-9(7-8)13-17-12(11-3-2-6-21-11)18-19(13)14(15)16-10;14-6-3-4-7-9(10(6)15)12-17-11(8-2-1-5-21-8)18-19(12)13(20)16-7/h3-6H,1-2H3,(H2,17,18);2-7H,1H3;2-7H,1H3,(H2,16,17);1-6H,(H2,18,19);2-7H,1H3,(H2,15,16);1-5H,(H,16,20)
• InChIKey: HRFIUUQFPDJEJD-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 462.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 7
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.39
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 163624928) is 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc2nc(N)n3nc(-c4ccco4)nc3c2c1.Cc1cc(C)c(-c2nc3c4cc(Cl)ccc4nc(N)n3n2)o1.Cc1nc2cccc(C(F)(F)F)c2c2nc(-c3ccco3)nn12.Cn1cccc1-c1nc2c3cc(Cl)ccc3nc(N)n2n1.Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3ccco3)nn12.O=c1[nH]c2ccc(Cl)c(Cl)c2c2nc(-c3ccco3)nn12.

What is the InChIKey of 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is HRFIUUQFPDJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O.C15H9F3N4O.C14H11ClN6.C14H8F3N5O.C14H11N5O2.C13H6Cl2N4O2/c1-7-5-8(2)22-12(7)13-19-14-10-6-9(16)3-4-11(10)18-15(17)21(14)20-13;1-8-19-10-5-2-4-9(15(16,17)18)12(10)14-20-13(21-22(8)14)11-6-3-7-23-11;1-20-6-2-3-11(20)12-18-13-9-7-8(15)4-5-10(9)17-14(16)21(13)19-12;15-14(16,17)7-3-1-4-8-10(7)12-20-11(9-5-2-6-23-9)21-22(12)13(18)19-8;1-20-8-4-5-10-9(7-8)13-17-12(11-3-2-6-21-11)18-19(13)14(15)16-10;14-6-3-4-7-9(10(6)15)12-17-11(8-2-1-5-21-8)18-19(12)13(20)16-7/h3-6H,1-2H3,(H2,17,18);2-7H,1H3;2-7H,1H3,(H2,16,17);1-6H,(H2,18,19);2-7H,1H3,(H2,15,16);1-5H,(H,16,20).

What are the key properties of 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 1852.39 g/mol, XLogP of 18.18, 7 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-2-(3,5-dimethylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9,10-dichloro-2-(furan-2-yl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one;2-(furan-2-yl)-9-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-5-methyl-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline;2-(furan-2-yl)-10-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 163624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).