2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine

C37H36F6N14O6S — CID 161249526

About 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine

2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine (PubChem CID 161249526) has the molecular formula C37H36F6N14O6S and a molecular weight of 918.84 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
• PubChem CID: 161249526
• Molecular Formula: C37H36F6N14O6S
• Molecular Weight: 918.84 g/mol
• Exact Mass: 918.26
• IUPAC Name: 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
• SMILES: CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(OCC(F)(F)F)cc1.Nc1nc(NCCc2ccc(OCC(F)(F)F)cc2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C18H16F3N7O2.C10H12F3NO.C9H8N6O3S/c19-18(20,21)10-30-12-5-3-11(4-6-12)7-8-23-16-25-15(22)28-17(26-16)24-14(27-28)13-2-1-9-29-13;11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-6,9H,7-8,10H2,(H3,22,23,24,25,26,27);1-4H,5-7,14H2;2-4H,1H3,(H2,10,11,12,13,14)
• InChIKey: VBBVMZXBSDZLLZ-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 280.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.84
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine?

The IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine (CID 161249526) is 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine.

What is the SMILES notation for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine?

The canonical SMILES for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(OCC(F)(F)F)cc1.Nc1nc(NCCc2ccc(OCC(F)(F)F)cc2)nc2nc(-c3ccco3)nn12.

What is the InChIKey of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine?

The InChIKey is VBBVMZXBSDZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O2.C10H12F3NO.C9H8N6O3S/c19-18(20,21)10-30-12-5-3-11(4-6-12)7-8-23-16-25-15(22)28-17(26-16)24-14(27-28)13-2-1-9-29-13;11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-6,9H,7-8,10H2,(H3,22,23,24,25,26,27);1-4H,5-7,14H2;2-4H,1H3,(H2,10,11,12,13,14).

What are the key properties of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine?

2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine has a molecular weight of 918.84 g/mol, XLogP of 4.85, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 161249526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).