2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C38H45N15O6S — CID 160886081

About 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 160886081) has the molecular formula C38H45N15O6S and a molecular weight of 839.94 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

• Compound Name: 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
• PubChem CID: 160886081
• Molecular Formula: C38H45N15O6S
• Molecular Weight: 839.94 g/mol
• Exact Mass: 839.34
• IUPAC Name: 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
• SMILES: CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(NCCO)cc1.Nc1nc(NCCc2ccc(CCCO)cc2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C19H21N7O2.C10H16N2O.C9H8N6O3S/c20-17-23-18(21-10-9-14-7-5-13(6-8-14)3-1-11-27)24-19-22-16(25-26(17)19)15-4-2-12-28-15;11-6-5-9-1-3-10(4-2-9)12-7-8-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h2,4-8,12,27H,1,3,9-11H2,(H3,20,21,22,23,24,25);1-4,12-13H,5-8,11H2;2-4H,1H3,(H2,10,11,12,13,14)
• InChIKey: SNQPIGUENCOLQN-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 314.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	839.94
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The IUPAC name of 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 160886081) is 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

What is the SMILES notation for 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The canonical SMILES for 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(NCCO)cc1.Nc1nc(NCCc2ccc(CCCO)cc2)nc2nc(-c3ccco3)nn12.

What is the InChIKey of 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The InChIKey is SNQPIGUENCOLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2.C10H16N2O.C9H8N6O3S/c20-17-23-18(21-10-9-14-7-5-13(6-8-14)3-1-11-27)24-19-22-16(25-26(17)19)15-4-2-12-28-15;11-6-5-9-1-3-10(4-2-9)12-7-8-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h2,4-8,12,27H,1,3,9-11H2,(H3,20,21,22,23,24,25);1-4,12-13H,5-8,11H2;2-4H,1H3,(H2,10,11,12,13,14).

What are the key properties of 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 839.94 g/mol, XLogP of 2.30, 15 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-aminoethyl)anilino]ethanol;3-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]propan-1-ol;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 160886081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).