2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide

C15H18F3N5O — CID 2526633

IUPAC2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nc(C(F)(F)F)nc1N
InChIInChI=1S/C15H18F3N5O/c1-3-9-6-5-7-10(4-2)12(9)20-11(24)8-23-14(19)21-13(22-23)15(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,20,24)(H2,19,21,22)
InChIKeyRUOZMJCFSRWCPX-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.64
Rot. Bonds5

About 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide

2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide (PubChem CID 2526633) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide
PubChem CID2526633
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nc(C(F)(F)F)nc1N
InChIInChI=1S/C15H18F3N5O/c1-3-9-6-5-7-10(4-2)12(9)20-11(24)8-23-14(19)21-13(22-23)15(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,20,24)(H2,19,21,22)
InChIKeyRUOZMJCFSRWCPX-UHFFFAOYSA-N
XLogP2.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide (CID 2526633) is 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1nc(C(F)(F)F)nc1N.
What is the InChIKey of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is RUOZMJCFSRWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-3-9-6-5-7-10(4-2)12(9)20-11(24)8-23-14(19)21-13(22-23)15(16,17)18/h5-7H,3-4,8H2,1-2H3,(H,20,24)(H2,19,21,22).
What are the key properties of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide?
2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 2526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).