N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H8Cl2F3N5OS — CID 1079607

About N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1079607) has the molecular formula C17H8Cl2F3N5OS and a molecular weight of 458.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 1079607
• Molecular Formula: C17H8Cl2F3N5OS
• Molecular Weight: 458.25 g/mol
• Exact Mass: 456.98
• IUPAC Name: N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C17H8Cl2F3N5OS/c18-8-3-1-4-9(13(8)19)23-15(28)14-25-16-24-10(11-5-2-6-29-11)7-12(17(20,21)22)27(16)26-14/h1-7H,(H,23,28)
• InChIKey: LGACBKZDICKBLU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.25
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1079607) is N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.

What is the InChIKey of N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is LGACBKZDICKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F3N5OS/c18-8-3-1-4-9(13(8)19)23-15(28)14-25-16-24-10(11-5-2-6-29-11)7-12(17(20,21)22)27(16)26-14/h1-7H,(H,23,28).

What are the key properties of N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 458.25 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1079607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).