5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide

C19H19ClF3N7O — CID 137473849

About 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide

5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide (PubChem CID 137473849) has the molecular formula C19H19ClF3N7O and a molecular weight of 453.86 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
• PubChem CID: 137473849
• Molecular Formula: C19H19ClF3N7O
• Molecular Weight: 453.86 g/mol
• Exact Mass: 453.13
• IUPAC Name: 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
• SMILES: CCN(C(=O)c1cc(Cl)ccc1-n1nccn1)C(C)CNc1cnc(C(F)(F)F)cn1
• InChI: InChI=1S/C19H19ClF3N7O/c1-3-29(12(2)9-25-17-11-24-16(10-26-17)19(21,22)23)18(31)14-8-13(20)4-5-15(14)30-27-6-7-28-30/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
• InChIKey: NNXOTZULHSKSNN-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.86
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide?

The IUPAC name of 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide (CID 137473849) is 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide.

What is the SMILES notation for 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide?

The canonical SMILES for 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide is CCN(C(=O)c1cc(Cl)ccc1-n1nccn1)C(C)CNc1cnc(C(F)(F)F)cn1.

What is the InChIKey of 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide?

The InChIKey is NNXOTZULHSKSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N7O/c1-3-29(12(2)9-25-17-11-24-16(10-26-17)19(21,22)23)18(31)14-8-13(20)4-5-15(14)30-27-6-7-28-30/h4-8,10-12H,3,9H2,1-2H3,(H,25,26).

What are the key properties of 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide?

5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide has a molecular weight of 453.86 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 137473849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).