2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline

C111H126N18O9 — CID 159244482

About 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline

2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline (PubChem CID 159244482) has the molecular formula C111H126N18O9 and a molecular weight of 1856.35 g/mol. Its IUPAC name is 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

• Compound Name: 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline
• PubChem CID: 159244482
• Molecular Formula: C111H126N18O9
• Molecular Weight: 1856.35 g/mol
• Exact Mass: 1855.00
• IUPAC Name: 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline
• SMILES: CCN(CC)CCCc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CCN(CC)CCNc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.CN(C)CC(C)(C)Oc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.c1cc(-c2ccc3c(c2)OCCO3)n2nc(Cc3ccc(NCCCN4CCCCC4)cc3)nc2c1
• InChI: InChI=1S/C29H33N5O2.C28H32N4O2.C27H31N5O2.C27H30N4O3/c1-2-15-33(16-3-1)17-5-14-30-24-11-8-22(9-12-24)20-28-31-29-7-4-6-25(34(29)32-28)23-10-13-26-27(21-23)36-19-18-35-26;1-3-31(4-2)16-6-7-21-10-12-22(13-11-21)19-27-29-28-9-5-8-24(32(28)30-27)23-14-15-25-26(20-23)34-18-17-33-25;1-3-31(4-2)14-13-28-22-8-5-7-20(17-22)18-26-29-27-10-6-9-23(32(27)30-26)21-11-12-24-25(19-21)34-16-15-33-24;1-27(2,18-30(3)4)34-21-11-8-19(9-12-21)16-25-28-26-7-5-6-22(31(26)29-25)20-10-13-23-24(17-20)33-15-14-32-23/h4,6-13,21,30H,1-3,5,14-20H2;5,8-15,20H,3-4,6-7,16-19H2,1-2H3;5-12,17,19,28H,3-4,13-16,18H2,1-2H3;5-13,17H,14-16,18H2,1-4H3
• InChIKey: KUMXZAPFWXWTLH-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 240.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.35
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline?

The IUPAC name of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline (CID 159244482) is 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline.

What is the SMILES notation for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline?

The canonical SMILES for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline is CCN(CC)CCCc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CCN(CC)CCNc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.CN(C)CC(C)(C)Oc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.c1cc(-c2ccc3c(c2)OCCO3)n2nc(Cc3ccc(NCCCN4CCCCC4)cc3)nc2c1.

What is the InChIKey of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline?

The InChIKey is KUMXZAPFWXWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2.C28H32N4O2.C27H31N5O2.C27H30N4O3/c1-2-15-33(16-3-1)17-5-14-30-24-11-8-22(9-12-24)20-28-31-29-7-4-6-25(34(29)32-28)23-10-13-26-27(21-23)36-19-18-35-26;1-3-31(4-2)16-6-7-21-10-12-22(13-11-21)19-27-29-28-9-5-8-24(32(28)30-27)23-14-15-25-26(20-23)34-18-17-33-25;1-3-31(4-2)14-13-28-22-8-5-7-20(17-22)18-26-29-27-10-6-9-23(32(27)30-26)21-11-12-24-25(19-21)34-16-15-33-24;1-27(2,18-30(3)4)34-21-11-8-19(9-12-21)16-25-28-26-7-5-6-22(31(26)29-25)20-10-13-23-24(17-20)33-15-14-32-23/h4,6-13,21,30H,1-3,5,14-20H2;5,8-15,20H,3-4,6-7,16-19H2,1-2H3;5-12,17,19,28H,3-4,13-16,18H2,1-2H3;5-13,17H,14-16,18H2,1-4H3.

What are the key properties of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline?

2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 1856.35 g/mol, XLogP of 19.07, 33 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N,2-trimethylpropan-1-amine;N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylethane-1,2-diamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-diethylpropan-1-amine;4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 159244482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).