2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

C78H75F4N33OS — CID 158310077

About 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 158310077) has the molecular formula C78H75F4N33OS and a molecular weight of 1598.75 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158310077
• Molecular Formula: C78H75F4N33OS
• Molecular Weight: 1598.75 g/mol
• Exact Mass: 1597.65
• IUPAC Name: 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CC(Nc1nc(N)nc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1nc(N)nc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1nc(N)nc(Nc2cc(-c3cccs3)[nH]n2)n1)c1ccc(F)cc1.COc1cccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4)n3)n[nH]2)c1
• InChI: InChI=1S/C21H21FN8O.C20H19FN8.C19H18FN9.C18H17FN8S/c1-12(13-6-8-15(22)9-7-13)24-20-26-19(23)27-21(28-20)25-18-11-17(29-30-18)14-4-3-5-16(10-14)31-2;1-12(13-7-9-15(21)10-8-13)23-19-25-18(22)26-20(27-19)24-17-11-16(28-29-17)14-5-3-2-4-6-14;1-11(12-4-6-14(20)7-5-12)23-18-25-17(21)26-19(27-18)24-16-9-15(28-29-16)13-3-2-8-22-10-13;1-10(11-4-6-12(19)7-5-11)21-17-23-16(20)24-18(25-17)22-15-9-13(26-27-15)14-3-2-8-28-14/h3-12H,1-2H3,(H5,23,24,25,26,27,28,29,30);2-12H,1H3,(H5,22,23,24,25,26,27,28,29);2-11H,1H3,(H5,21,23,24,25,26,27,28,29);2-10H,1H3,(H5,20,21,22,23,24,25,26,27)
• InChIKey: GNONFLKFBMYYHO-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 491.84 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1598.75
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 158310077) is 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1nc(N)nc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1nc(N)nc(Nc2cc(-c3cccs3)[nH]n2)n1)c1ccc(F)cc1.COc1cccc(-c2cc(Nc3nc(N)nc(NC(C)c4ccc(F)cc4)n3)n[nH]2)c1.

What is the InChIKey of 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GNONFLKFBMYYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O.C20H19FN8.C19H18FN9.C18H17FN8S/c1-12(13-6-8-15(22)9-7-13)24-20-26-19(23)27-21(28-20)25-18-11-17(29-30-18)14-4-3-5-16(10-14)31-2;1-12(13-7-9-15(21)10-8-13)23-19-25-18(22)26-20(27-19)24-17-11-16(28-29-17)14-5-3-2-4-6-14;1-11(12-4-6-14(20)7-5-12)23-18-25-17(21)26-19(27-18)24-16-9-15(28-29-16)13-3-2-8-22-10-13;1-10(11-4-6-12(19)7-5-11)21-17-23-16(20)24-18(25-17)22-15-9-13(26-27-15)14-3-2-8-28-14/h3-12H,1-2H3,(H5,23,24,25,26,27,28,29,30);2-12H,1H3,(H5,22,23,24,25,26,27,28,29);2-11H,1H3,(H5,21,23,24,25,26,27,28,29);2-10H,1H3,(H5,20,21,22,23,24,25,26,27).

What are the key properties of 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine?

2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1598.75 g/mol, XLogP of 15.06, 25 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158310077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).