2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C96H81F3N30O2 — CID 159664462

About 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 159664462) has the molecular formula C96H81F3N30O2 and a molecular weight of 1743.91 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
• PubChem CID: 159664462
• Molecular Formula: C96H81F3N30O2
• Molecular Weight: 1743.91 g/mol
• Exact Mass: 1742.71
• IUPAC Name: 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
• SMILES: CCOc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.CCc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3-c3ccccc3)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3O)nc3ccccc23)n[nH]1
• InChI: InChI=1S/C23H18N6.C19H18N6O.C19H18N6.C18H13F3N6.C17H14N6O/c1-15-24-23(29-28-15)27-22-19-13-7-8-14-20(19)25-21(26-22)18-12-6-5-11-17(18)16-9-3-2-4-10-16;1-3-26-16-11-7-5-9-14(16)18-21-15-10-6-4-8-13(15)17(22-18)23-19-20-12(2)24-25-19;1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;1-10-22-17(27-26-10)25-16-12-7-3-5-9-14(12)23-15(24-16)11-6-2-4-8-13(11)18(19,20)21;1-10-18-17(23-22-10)21-15-11-6-2-4-8-13(11)19-16(20-15)12-7-3-5-9-14(12)24/h2-14H,1H3,(H2,24,25,26,27,28,29);4-11H,3H2,1-2H3,(H2,20,21,22,23,24,25);4-11H,3H2,1-2H3,(H2,20,21,22,23,24,25);2-9H,1H3,(H2,22,23,24,25,26,27);2-9,24H,1H3,(H2,18,19,20,21,22,23)
• InChIKey: MTFMADFZLSHSRO-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 426.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1743.91
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?

The IUPAC name of 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 159664462) is 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

What is the SMILES notation for 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?

The canonical SMILES for 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CCOc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.CCc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.Cc1nc(Nc2nc(-c3ccccc3-c3ccccc3)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3O)nc3ccccc23)n[nH]1.

What is the InChIKey of 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?

The InChIKey is MTFMADFZLSHSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6.C19H18N6O.C19H18N6.C18H13F3N6.C17H14N6O/c1-15-24-23(29-28-15)27-22-19-13-7-8-14-20(19)25-21(26-22)18-12-6-5-11-17(18)16-9-3-2-4-10-16;1-3-26-16-11-7-5-9-14(16)18-21-15-10-6-4-8-13(15)17(22-18)23-19-20-12(2)24-25-19;1-3-13-8-4-5-9-14(13)17-21-16-11-7-6-10-15(16)18(22-17)23-19-20-12(2)24-25-19;1-10-22-17(27-26-10)25-16-12-7-3-5-9-14(12)23-15(24-16)11-6-2-4-8-13(11)18(19,20)21;1-10-18-17(23-22-10)21-15-11-6-2-4-8-13(11)19-16(20-15)12-7-3-5-9-14(12)24/h2-14H,1H3,(H2,24,25,26,27,28,29);4-11H,3H2,1-2H3,(H2,20,21,22,23,24,25);4-11H,3H2,1-2H3,(H2,20,21,22,23,24,25);2-9H,1H3,(H2,22,23,24,25,26,27);2-9,24H,1H3,(H2,18,19,20,21,22,23).

What are the key properties of 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?

2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1743.91 g/mol, XLogP of 20.69, 19 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]phenol;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 159664462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).