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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine

C31H32N16O4S — CID 158800013

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine (PubChem CID 158800013) has the molecular formula C31H32N16O4S and a molecular weight of 724.77 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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine.

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine
• PubChem CID: 158800013
• Molecular Formula: C31H32N16O4S
• Molecular Weight: 724.77 g/mol
• Exact Mass: 724.25
• 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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine
• SMILES: CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1cccnc1.Nc1nc(NCCc2cccnc2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C15H14N8O.C9H8N6O3S.C7H10N2/c16-13-20-14(18-7-5-10-3-1-6-17-9-10)21-15-19-12(22-23(13)15)11-4-2-8-24-11;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5;8-4-3-7-2-1-5-9-6-7/h1-4,6,8-9H,5,7H2,(H3,16,18,19,20,21,22);2-4H,1H3,(H2,10,11,12,13,14);1-2,5-6H,3-4,8H2
• InChIKey: ITJCDMPHJNXRLA-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 288.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.77
LogP ≤ 5	1.76
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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine?

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine (CID 158800013) 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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine.

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine?

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1cccnc1.Nc1nc(NCCc2cccnc2)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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine?

The InChIKey is ITJCDMPHJNXRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O.C9H8N6O3S.C7H10N2/c16-13-20-14(18-7-5-10-3-1-6-17-9-10)21-15-19-12(22-23(13)15)11-4-2-8-24-11;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5;8-4-3-7-2-1-5-9-6-7/h1-4,6,8-9H,5,7H2,(H3,16,18,19,20,21,22);2-4H,1H3,(H2,10,11,12,13,14);1-2,5-6H,3-4,8H2.

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine?

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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine has a molecular weight of 724.77 g/mol, XLogP of 1.76, 9 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-pyridin-3-ylethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-pyridin-3-ylethanamine is sourced from PubChem (CID 158800013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).