N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C99H93F15N30 — CID 158778025

About N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 158778025) has the molecular formula C99H93F15N30 and a molecular weight of 1988.01 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
• PubChem CID: 158778025
• Molecular Formula: C99H93F15N30
• Molecular Weight: 1988.01 g/mol
• Exact Mass: 1986.80
• IUPAC Name: N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
• SMILES: CC(C)Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCCC3)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCCC3)n[nH]1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(-c4ccccc4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(C4CC4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3ncn[nH]3)n1)CCCC2
• InChI: InChI=1S/C23H19F3N6.C21H23F3N6.C20H19F3N6.C18H17F3N6.C17H15F3N6/c24-23(25,26)17-12-6-4-10-15(17)20-27-18-13-7-5-11-16(18)21(28-20)30-22-29-19(31-32-22)14-8-2-1-3-9-14;1-12(2)11-17-26-20(30-29-17)28-19-14-8-4-6-10-16(14)25-18(27-19)13-7-3-5-9-15(13)21(22,23)24;21-20(22,23)14-7-3-1-5-12(14)17-24-15-8-4-2-6-13(15)18(25-17)27-19-26-16(28-29-19)11-9-10-11;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;18-17(19,20)12-7-3-1-5-10(12)14-23-13-8-4-2-6-11(13)15(24-14)25-16-21-9-22-26-16/h1-4,6,8-10,12H,5,7,11,13H2,(H2,27,28,29,30,31,32);3,5,7,9,12H,4,6,8,10-11H2,1-2H3,(H2,25,26,27,28,29,30);1,3,5,7,11H,2,4,6,8-10H2,(H2,24,25,26,27,28,29);2,4,6,8H,3,5,7,9H2,1H3,(H2,22,23,24,25,26,27);1,3,5,7,9H,2,4,6,8H2,(H2,21,22,23,24,25,26)
• InChIKey: IQSJAXKRRVKMCV-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 396.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.01
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 158778025) is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

What is the SMILES notation for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The canonical SMILES for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is CC(C)Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCCC3)n[nH]1.Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CCCC3)n[nH]1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(-c4ccccc4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c(C4CC4)n3)n1)CCCC2.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3ncn[nH]3)n1)CCCC2.

What is the InChIKey of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The InChIKey is IQSJAXKRRVKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6.C21H23F3N6.C20H19F3N6.C18H17F3N6.C17H15F3N6/c24-23(25,26)17-12-6-4-10-15(17)20-27-18-13-7-5-11-16(18)21(28-20)30-22-29-19(31-32-22)14-8-2-1-3-9-14;1-12(2)11-17-26-20(30-29-17)28-19-14-8-4-6-10-16(14)25-18(27-19)13-7-3-5-9-15(13)21(22,23)24;21-20(22,23)14-7-3-1-5-12(14)17-24-15-8-4-2-6-13(15)18(25-17)27-19-26-16(28-29-19)11-9-10-11;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;18-17(19,20)12-7-3-1-5-10(12)14-23-13-8-4-2-6-11(13)15(24-14)25-16-21-9-22-26-16/h1-4,6,8-10,12H,5,7,11,13H2,(H2,27,28,29,30,31,32);3,5,7,9,12H,4,6,8,10-11H2,1-2H3,(H2,25,26,27,28,29,30);1,3,5,7,11H,2,4,6,8-10H2,(H2,24,25,26,27,28,29);2,4,6,8H,3,5,7,9H2,1H3,(H2,22,23,24,25,26,27);1,3,5,7,9H,2,4,6,8H2,(H2,21,22,23,24,25,26).

What are the key properties of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?

N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 1988.01 g/mol, XLogP of 23.57, 19 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 158778025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).