4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine

C84H106N26O2 — CID 162190508

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine

4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine (PubChem CID 162190508) has the molecular formula C84H106N26O2 and a molecular weight of 1511.95 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine
• PubChem CID: 162190508
• Molecular Formula: C84H106N26O2
• Molecular Weight: 1511.95 g/mol
• Exact Mass: 1510.90
• IUPAC Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine
• SMILES: CC(C)CCN(C)c1cccc(-n2cnc(Nc3ccccc3)n2)c1.CCN(CC)CCNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN1C(C)(C)CC(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1(C)C.O=C(C1CCCO1)N1CCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1
• InChI: InChI=1S/C23H31N7.C22H25N7O2.C20H25N5.C19H25N7/c1-22(2)14-18(15-23(3,4)29(22)5)26-20-13-19(11-12-24-20)30-16-25-21(28-30)27-17-9-7-6-8-10-17;30-21(19-7-4-14-31-19)28-12-10-27(11-13-28)20-15-18(8-9-23-20)29-16-24-22(26-29)25-17-5-2-1-3-6-17;1-16(2)12-13-24(3)18-10-7-11-19(14-18)25-15-21-20(23-25)22-17-8-5-4-6-9-17;1-3-25(4-2)13-12-21-18-14-17(10-11-20-18)26-15-22-19(24-26)23-16-8-6-5-7-9-16/h6-13,16,18H,14-15H2,1-5H3,(H,24,26)(H,27,28);1-3,5-6,8-9,15-16,19H,4,7,10-14H2,(H,25,26);4-11,14-16H,12-13H2,1-3H3,(H,22,23);5-11,14-15H,3-4,12-13H2,1-2H3,(H,20,21)(H,23,24)
• InChIKey: ZQFVAPTYZGGRMW-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 276.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1511.95
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine?

The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine (CID 162190508) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine.

What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine?

The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine is CC(C)CCN(C)c1cccc(-n2cnc(Nc3ccccc3)n2)c1.CCN(CC)CCNc1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN1C(C)(C)CC(Nc2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1(C)C.O=C(C1CCCO1)N1CCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1.

What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine?

The InChIKey is ZQFVAPTYZGGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7.C22H25N7O2.C20H25N5.C19H25N7/c1-22(2)14-18(15-23(3,4)29(22)5)26-20-13-19(11-12-24-20)30-16-25-21(28-30)27-17-9-7-6-8-10-17;30-21(19-7-4-14-31-19)28-12-10-27(11-13-28)20-15-18(8-9-23-20)29-16-24-22(26-29)25-17-5-2-1-3-6-17;1-16(2)12-13-24(3)18-10-7-11-19(14-18)25-15-21-20(23-25)22-17-8-5-4-6-9-17;1-3-25(4-2)13-12-21-18-14-17(10-11-20-18)26-15-22-19(24-26)23-16-8-6-5-7-9-16/h6-13,16,18H,14-15H2,1-5H3,(H,24,26)(H,27,28);1-3,5-6,8-9,15-16,19H,4,7,10-14H2,(H,25,26);4-11,14-16H,12-13H2,1-3H3,(H,22,23);5-11,14-15H,3-4,12-13H2,1-2H3,(H,20,21)(H,23,24).

What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine?

4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine has a molecular weight of 1511.95 g/mol, XLogP of 14.36, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-anilino-1,2,4-triazol-1-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyridin-2-amine;N-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine;[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]piperazin-1-yl]-(oxolan-2-yl)methanone;1-[3-[methyl(3-methylbutyl)amino]phenyl]-N-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 162190508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).