N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

C86H77ClN20O4 — CID 157402002

About N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 157402002) has the molecular formula C86H77ClN20O4 and a molecular weight of 1490.15 g/mol. Its IUPAC name is N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
• PubChem CID: 157402002
• Molecular Formula: C86H77ClN20O4
• Molecular Weight: 1490.15 g/mol
• Exact Mass: 1488.61
• IUPAC Name: N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
• SMILES: Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc(C)c1Cl.Cc1ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc1C.c1cc2c(c(Nc3n[nH]c(-c4ccc(Oc5ccncc5)cc4)n3)c1)CCCC2
• InChI: InChI=1S/C23H21N5O.C21H18ClN5O.2C21H19N5O/c1-2-6-20-16(4-1)5-3-7-21(20)25-23-26-22(27-28-23)17-8-10-18(11-9-17)29-19-12-14-24-15-13-19;1-13-11-16(12-14(2)19(13)22)24-21-25-20(26-27-21)15-3-5-17(6-4-15)28-18-7-9-23-10-8-18;1-14-3-6-17(13-15(14)2)23-21-24-20(25-26-21)16-4-7-18(8-5-16)27-19-9-11-22-12-10-19;1-14-11-15(2)13-17(12-14)23-21-24-20(25-26-21)16-3-5-18(6-4-16)27-19-7-9-22-10-8-19/h3,5,7-15H,1-2,4,6H2,(H2,25,26,27,28);3-12H,1-2H3,(H2,24,25,26,27);2*3-13H,1-2H3,(H2,23,24,25,26)
• InChIKey: BNGZEJJGGROPMA-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 302.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1490.15
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (CID 157402002) is N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc(C)c1Cl.Cc1ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc1C.c1cc2c(c(Nc3n[nH]c(-c4ccc(Oc5ccncc5)cc4)n3)c1)CCCC2.

What is the InChIKey of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The InChIKey is BNGZEJJGGROPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C21H18ClN5O.2C21H19N5O/c1-2-6-20-16(4-1)5-3-7-21(20)25-23-26-22(27-28-23)17-8-10-18(11-9-17)29-19-12-14-24-15-13-19;1-13-11-16(12-14(2)19(13)22)24-21-25-20(26-27-21)15-3-5-17(6-4-15)28-18-7-9-23-10-8-18;1-14-3-6-17(13-15(14)2)23-21-24-20(25-26-21)16-4-7-18(8-5-16)27-19-9-11-22-12-10-19;1-14-11-15(2)13-17(12-14)23-21-24-20(25-26-21)16-3-5-18(6-4-16)27-19-7-9-22-10-8-19/h3,5,7-15H,1-2,4,6H2,(H2,25,26,27,28);3-12H,1-2H3,(H2,24,25,26,27);2*3-13H,1-2H3,(H2,23,24,25,26).

What are the key properties of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 1490.15 g/mol, XLogP of 20.99, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 157402002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).