N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine

C99H90Cl5N21O6 — CID 161196884

About N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine

N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 161196884) has the molecular formula C99H90Cl5N21O6 and a molecular weight of 1847.21 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine
• PubChem CID: 161196884
• Molecular Formula: C99H90Cl5N21O6
• Molecular Weight: 1847.21 g/mol
• Exact Mass: 1843.58
• IUPAC Name: N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine
• SMILES: CCOc1cc(C)ccc1Oc1cccc(Cl)c1CNc1n[nH]c(C)n1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc(-c3ccccc3)cc2)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc3ccccc3c2)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2cccc3cc[nH]c23)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2cccc3ccccc23)n[nH]1
• InChI: InChI=1S/C22H19ClN4O.2C20H17ClN4O.C19H21ClN4O2.C18H16ClN5O/c1-15-25-22(27-26-15)24-14-19-20(23)8-5-9-21(19)28-18-12-10-17(11-13-18)16-6-3-2-4-7-16;1-13-23-20(25-24-13)22-12-16-17(21)9-5-11-19(16)26-18-10-4-7-14-6-2-3-8-15(14)18;1-13-23-20(25-24-13)22-12-17-18(21)7-4-8-19(17)26-16-10-9-14-5-2-3-6-15(14)11-16;1-4-25-18-10-12(2)8-9-17(18)26-16-7-5-6-15(20)14(16)11-21-19-22-13(3)23-24-19;1-11-22-18(24-23-11)21-10-13-14(19)5-3-6-15(13)25-16-7-2-4-12-8-9-20-17(12)16/h2-13H,14H2,1H3,(H2,24,25,26,27);2*2-11H,12H2,1H3,(H2,22,23,24,25);5-10H,4,11H2,1-3H3,(H2,21,22,23,24);2-9,20H,10H2,1H3,(H2,21,22,23,24)
• InChIKey: UULQXQQAACZMSU-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 339.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1847.21
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine (CID 161196884) is N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine is CCOc1cc(C)ccc1Oc1cccc(Cl)c1CNc1n[nH]c(C)n1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc(-c3ccccc3)cc2)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2ccc3ccccc3c2)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2cccc3cc[nH]c23)n[nH]1.Cc1nc(NCc2c(Cl)cccc2Oc2cccc3ccccc23)n[nH]1.

What is the InChIKey of N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine?

The InChIKey is UULQXQQAACZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O.2C20H17ClN4O.C19H21ClN4O2.C18H16ClN5O/c1-15-25-22(27-26-15)24-14-19-20(23)8-5-9-21(19)28-18-12-10-17(11-13-18)16-6-3-2-4-7-16;1-13-23-20(25-24-13)22-12-16-17(21)9-5-11-19(16)26-18-10-4-7-14-6-2-3-8-15(14)18;1-13-23-20(25-24-13)22-12-17-18(21)7-4-8-19(17)26-16-10-9-14-5-2-3-6-15(14)11-16;1-4-25-18-10-12(2)8-9-17(18)26-16-7-5-6-15(20)14(16)11-21-19-22-13(3)23-24-19;1-11-22-18(24-23-11)21-10-13-14(19)5-3-6-15(13)25-16-7-2-4-12-8-9-20-17(12)16/h2-13H,14H2,1H3,(H2,24,25,26,27);2*2-11H,12H2,1H3,(H2,22,23,24,25);5-10H,4,11H2,1-3H3,(H2,21,22,23,24);2-9,20H,10H2,1H3,(H2,21,22,23,24).

What are the key properties of N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine?

N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 1847.21 g/mol, XLogP of 26.02, 28 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-chloro-6-(2-ethoxy-4-methylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(1H-indol-7-yloxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-1-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[(2-chloro-6-naphthalen-2-yloxyphenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine;N-[[2-chloro-6-(4-phenylphenoxy)phenyl]methyl]-5-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 161196884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).