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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine

C47H44N24O4S — CID 159002675

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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine (PubChem CID 159002675) has the molecular formula C47H44N24O4S and a molecular weight of 1041.10 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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine
• PubChem CID: 159002675
• Molecular Formula: C47H44N24O4S
• Molecular Weight: 1041.10 g/mol
• Exact Mass: 1040.37
• 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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine
• SMILES: CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(-c2nnn(Cc3cccnc3)n2)cc1.Nc1nc(NCCc2ccc(-c3nnn(Cc4cccnc4)n3)cc2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C23H20N12O.C15H16N6.C9H8N6O3S/c24-21-28-22(29-23-27-20(32-35(21)23)18-4-2-12-36-18)26-11-9-15-5-7-17(8-6-15)19-30-33-34(31-19)14-16-3-1-10-25-13-16;16-8-7-12-3-5-14(6-4-12)15-18-20-21(19-15)11-13-2-1-9-17-10-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-8,10,12-13H,9,11,14H2,(H3,24,26,27,28,29,32);1-6,9-10H,7-8,11,16H2;2-4H,1H3,(H2,10,11,12,13,14)
• InChIKey: JRNJVAPPUUSAMV-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 375.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.10
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine (CID 159002675) 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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(-c2nnn(Cc3cccnc3)n2)cc1.Nc1nc(NCCc2ccc(-c3nnn(Cc4cccnc4)n3)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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine?

The InChIKey is JRNJVAPPUUSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N12O.C15H16N6.C9H8N6O3S/c24-21-28-22(29-23-27-20(32-35(21)23)18-4-2-12-36-18)26-11-9-15-5-7-17(8-6-15)19-30-33-34(31-19)14-16-3-1-10-25-13-16;16-8-7-12-3-5-14(6-4-12)15-18-20-21(19-15)11-13-2-1-9-17-10-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-8,10,12-13H,9,11,14H2,(H3,24,26,27,28,29,32);1-6,9-10H,7-8,11,16H2;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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine has a molecular weight of 1041.10 g/mol, XLogP of 3.16, 15 rotatable bonds, 4 hydrogen bond donors, and 28 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-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 159002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).