3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine

C109H113N19O5 — CID 159759982

About 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine

3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 159759982) has the molecular formula C109H113N19O5 and a molecular weight of 1769.23 g/mol. Its IUPAC name is 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

• Compound Name: 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
• PubChem CID: 159759982
• Molecular Formula: C109H113N19O5
• Molecular Weight: 1769.23 g/mol
• Exact Mass: 1767.92
• IUPAC Name: 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
• SMILES: C=C(COc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)NC.C=C(NCCN(C)C)c1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCNCc5ccc(N)cc5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCNCc5cccnc5)cc4)nn23)cc1
• InChI: InChI=1S/C30H31N5O.C29H29N5O.C26H29N5O.C24H24N4O2/c1-36-27-17-13-25(14-18-27)28-5-2-6-30-33-29(34-35(28)30)20-23-9-7-22(8-10-23)4-3-19-32-21-24-11-15-26(31)16-12-24;1-35-26-15-13-25(14-16-26)27-7-2-8-29-32-28(33-34(27)29)19-23-11-9-22(10-12-23)5-3-17-30-20-24-6-4-18-31-21-24;1-19(27-16-17-30(2)3)21-10-8-20(9-11-21)18-25-28-26-7-5-6-24(31(26)29-25)22-12-14-23(32-4)15-13-22;1-17(25-2)16-30-21-11-7-18(8-12-21)15-23-26-24-6-4-5-22(28(24)27-23)19-9-13-20(29-3)14-10-19/h2,5-18,32H,3-4,19-21,31H2,1H3;2,4,6-16,18,21,30H,3,5,17,19-20H2,1H3;5-15,27H,1,16-18H2,2-4H3;4-14,25H,1,15-16H2,2-3H3
• InChIKey: NETDJFJGNYMMGN-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 257.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.23
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?

The IUPAC name of 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 159759982) is 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

What is the SMILES notation for 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?

The canonical SMILES for 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine is C=C(COc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1)NC.C=C(NCCN(C)C)c1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCNCc5ccc(N)cc5)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(CCCNCc5cccnc5)cc4)nn23)cc1.

What is the InChIKey of 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?

The InChIKey is NETDJFJGNYMMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O.C29H29N5O.C26H29N5O.C24H24N4O2/c1-36-27-17-13-25(14-18-27)28-5-2-6-30-33-29(34-35(28)30)20-23-9-7-22(8-10-23)4-3-19-32-21-24-11-15-26(31)16-12-24;1-35-26-15-13-25(14-16-26)27-7-2-8-29-32-28(33-34(27)29)19-23-11-9-22(10-12-23)5-3-17-30-20-24-6-4-18-31-21-24;1-19(27-16-17-30(2)3)21-10-8-20(9-11-21)18-25-28-26-7-5-6-24(31(26)29-25)22-12-14-23(32-4)15-13-22;1-17(25-2)16-30-21-11-7-18(8-12-21)15-23-26-24-6-4-5-22(28(24)27-23)19-9-13-20(29-3)14-10-19/h2,5-18,32H,3-4,19-21,31H2,1H3;2,4,6-16,18,21,30H,3,5,17,19-20H2,1H3;5-15,27H,1,16-18H2,2-4H3;4-14,25H,1,15-16H2,2-3H3.

What are the key properties of 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?

3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 1769.23 g/mol, XLogP of 18.64, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylprop-1-en-2-amine;N-[1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine;4-[[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propylamino]methyl]aniline;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 159759982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).