4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine

C111H121N37O3 — CID 160668407

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine

4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine (PubChem CID 160668407) has the molecular formula C111H121N37O3 and a molecular weight of 2021.44 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
• PubChem CID: 160668407
• Molecular Formula: C111H121N37O3
• Molecular Weight: 2021.44 g/mol
• Exact Mass: 2020.05
• IUPAC Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
• SMILES: CC1CCCN1c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCCN(CCO)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCN(CCO)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(Cc1ccccc1)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(Cc1cccnc1)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.COCCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1
• InChI: InChI=1S/C21H20N6.C20H19N7.C18H22N6O.C18H20N6.2C17H20N6O/c1-26(15-17-8-4-2-5-9-17)20-14-19(12-13-22-20)27-16-23-21(25-27)24-18-10-6-3-7-11-18;1-26(14-16-6-5-10-21-13-16)19-12-18(9-11-22-19)27-15-23-20(25-27)24-17-7-3-2-4-8-17;1-2-10-23(11-12-25)17-13-16(8-9-19-17)24-14-20-18(22-24)21-15-6-4-3-5-7-15;1-14-6-5-11-23(14)17-12-16(9-10-19-17)24-13-20-18(22-24)21-15-7-3-2-4-8-15;1-22(10-11-24-2)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14;1-2-22(10-11-24)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14/h2-14,16H,15H2,1H3,(H,24,25);2-13,15H,14H2,1H3,(H,24,25);3-9,13-14,25H,2,10-12H2,1H3,(H,21,22);2-4,7-10,12-14H,5-6,11H2,1H3,(H,21,22);3-9,12-13H,10-11H2,1-2H3,(H,20,21);3-9,12-13,24H,2,10-11H2,1H3,(H,20,21)
• InChIKey: RMPOUYKZKQTCCP-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 415.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.44
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine (CID 160668407) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine.

What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine is CC1CCCN1c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCCN(CCO)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CCN(CCO)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(Cc1ccccc1)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(Cc1cccnc1)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.COCCN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.

What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The InChIKey is RMPOUYKZKQTCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6.C20H19N7.C18H22N6O.C18H20N6.2C17H20N6O/c1-26(15-17-8-4-2-5-9-17)20-14-19(12-13-22-20)27-16-23-21(25-27)24-18-10-6-3-7-11-18;1-26(14-16-6-5-10-21-13-16)19-12-18(9-11-22-19)27-15-23-20(25-27)24-17-7-3-2-4-8-17;1-2-10-23(11-12-25)17-13-16(8-9-19-17)24-14-20-18(22-24)21-15-6-4-3-5-7-15;1-14-6-5-11-23(14)17-12-16(9-10-19-17)24-13-20-18(22-24)21-15-7-3-2-4-8-15;1-22(10-11-24-2)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14;1-2-22(10-11-24)16-12-15(8-9-18-16)23-13-19-17(21-23)20-14-6-4-3-5-7-14/h2-14,16H,15H2,1H3,(H,24,25);2-13,15H,14H2,1H3,(H,24,25);3-9,13-14,25H,2,10-12H2,1H3,(H,21,22);2-4,7-10,12-14H,5-6,11H2,1H3,(H,21,22);3-9,12-13H,10-11H2,1-2H3,(H,20,21);3-9,12-13,24H,2,10-11H2,1H3,(H,20,21).

What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine has a molecular weight of 2021.44 g/mol, XLogP of 18.20, 38 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-anilino-1,2,4-triazol-1-yl)-N-benzyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-ethylamino]ethanol;2-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-propylamino]ethanol;1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 160668407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).