3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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

C127H128N20O14 — CID 162156087

About 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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

3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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 (PubChem CID 162156087) has the molecular formula C127H128N20O14 and a molecular weight of 2158.55 g/mol. Its IUPAC name is 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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.

Molecular Properties

• Compound Name: 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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
• PubChem CID: 162156087
• Molecular Formula: C127H128N20O14
• Molecular Weight: 2158.55 g/mol
• Exact Mass: 2156.99
• IUPAC Name: 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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
• SMILES: C=C(N)C(C)Oc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C=C(N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C=C(N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1C.CCN(CC)CCCc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CN(C)CCOc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
• InChI: InChI=1S/C28H32N4O2.C25H26N4O3.2C25H24N4O3.C24H22N4O3/c1-3-31(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;1-28(2)11-12-30-20-6-3-5-18(15-20)16-24-26-25-8-4-7-21(29(25)27-24)19-9-10-22-23(17-19)32-14-13-31-22;1-16(26)17(2)32-20-9-6-18(7-10-20)14-24-27-25-5-3-4-21(29(25)28-24)19-8-11-22-23(15-19)31-13-12-30-22;1-16-12-18(6-8-21(16)32-15-17(2)26)13-24-27-25-5-3-4-20(29(25)28-24)19-7-9-22-23(14-19)31-11-10-30-22;1-16(25)15-31-19-8-5-17(6-9-19)13-23-26-24-4-2-3-20(28(24)27-23)18-7-10-21-22(14-18)30-12-11-29-21/h5,8-15,20H,3-4,6-7,16-19H2,1-2H3;3-10,15,17H,11-14,16H2,1-2H3;3-11,15,17H,1,12-14,26H2,2H3;3-9,12,14H,2,10-11,13,15,26H2,1H3;2-10,14H,1,11-13,15,25H2
• InChIKey: ZLVNQHLMBNRYCE-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 364.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.55
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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?

The IUPAC name of 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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 (CID 162156087) is 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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.

What is the SMILES notation for 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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?

The canonical SMILES for 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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 is C=C(N)C(C)Oc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C=C(N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.C=C(N)COc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1C.CCN(CC)CCCc1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CN(C)CCOc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.

What is the InChIKey of 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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?

The InChIKey is ZLVNQHLMBNRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2.C25H26N4O3.2C25H24N4O3.C24H22N4O3/c1-3-31(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;1-28(2)11-12-30-20-6-3-5-18(15-20)16-24-26-25-8-4-7-21(29(25)27-24)19-9-10-22-23(17-19)32-14-13-31-22;1-16(26)17(2)32-20-9-6-18(7-10-20)14-24-27-25-5-3-4-21(29(25)28-24)19-8-11-22-23(15-19)31-13-12-30-22;1-16-12-18(6-8-21(16)32-15-17(2)26)13-24-27-25-5-3-4-20(29(25)28-24)19-7-9-22-23(14-19)31-11-10-30-22;1-16(25)15-31-19-8-5-17(6-9-19)13-23-26-24-4-2-3-20(28(24)27-23)18-7-10-21-22(14-18)30-12-11-29-21/h5,8-15,20H,3-4,6-7,16-19H2,1-2H3;3-10,15,17H,11-14,16H2,1-2H3;3-11,15,17H,1,12-14,26H2,2H3;3-9,12,14H,2,10-11,13,15,26H2,1H3;2-10,14H,1,11-13,15,25H2.

What are the key properties of 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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?

3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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 has a molecular weight of 2158.55 g/mol, XLogP of 20.26, 34 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-methylphenoxy]prop-1-en-2-amine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]but-1-en-2-amine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]prop-1-en-2-amine;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 is sourced from PubChem (CID 162156087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).