N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C85H60F12N24S — CID 158643800

IUPACN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3ccccc3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3cccs3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(C3CC3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(CC3CC3)n2)c2ccccc2n1
InChIInChI=1S/C23H15F3N6.C21H13F3N6S.C21H17F3N6.C20H15F3N6/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;22-21(23,24)14-8-3-1-6-12(14)17-25-15-9-4-2-7-13(15)18(26-17)27-20-28-19(29-30-20)16-10-5-11-31-16;22-21(23,24)15-7-3-1-5-13(15)18-25-16-8-4-2-6-14(16)19(27-18)28-20-26-17(29-30-20)11-12-9-10-12;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/h1-13H,(H2,27,28,29,30,31,32);1-11H,(H2,25,26,27,28,29,30);1-8,12H,9-11H2,(H2,25,26,27,28,29,30);1-8,11H,9-10H2,(H2,24,25,26,27,28,29)
InChIKeyIASFGAYUAPTVTO-UHFFFAOYSA-N
MW1677.63 g/mol
LogP21.93
Rot. Bonds17

About N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 158643800) has the molecular formula C85H60F12N24S and a molecular weight of 1677.63 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID158643800
Molecular FormulaC85H60F12N24S
Molecular Weight1677.63 g/mol
Exact Mass1676.50
IUPAC NameN-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3ccccc3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3cccs3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(C3CC3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(CC3CC3)n2)c2ccccc2n1
InChIInChI=1S/C23H15F3N6.C21H13F3N6S.C21H17F3N6.C20H15F3N6/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;22-21(23,24)14-8-3-1-6-12(14)17-25-15-9-4-2-7-13(15)18(26-17)27-20-28-19(29-30-20)16-10-5-11-31-16;22-21(23,24)15-7-3-1-5-13(15)18-25-16-8-4-2-6-14(16)19(27-18)28-20-26-17(29-30-20)11-12-9-10-12;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/h1-13H,(H2,27,28,29,30,31,32);1-11H,(H2,25,26,27,28,29,30);1-8,12H,9-11H2,(H2,25,26,27,28,29,30);1-8,11H,9-10H2,(H2,24,25,26,27,28,29)
InChIKeyIASFGAYUAPTVTO-UHFFFAOYSA-N
XLogP21.93
TPSA317.52 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.63
LogP ≤ 521.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 158643800) is N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3ccccc3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(-c3cccs3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(C3CC3)n2)c2ccccc2n1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c(CC3CC3)n2)c2ccccc2n1.
What is the InChIKey of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is IASFGAYUAPTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6.C21H13F3N6S.C21H17F3N6.C20H15F3N6/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;22-21(23,24)14-8-3-1-6-12(14)17-25-15-9-4-2-7-13(15)18(26-17)27-20-28-19(29-30-20)16-10-5-11-31-16;22-21(23,24)15-7-3-1-5-13(15)18-25-16-8-4-2-6-14(16)19(27-18)28-20-26-17(29-30-20)11-12-9-10-12;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/h1-13H,(H2,27,28,29,30,31,32);1-11H,(H2,25,26,27,28,29,30);1-8,12H,9-11H2,(H2,25,26,27,28,29,30);1-8,11H,9-10H2,(H2,24,25,26,27,28,29).
What are the key properties of N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1677.63 g/mol, XLogP of 21.93, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 158643800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).