2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C12H11F3N4O — CID 43051715

IUPAC2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N4O/c1-7-2-4-8(5-3-7)6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyYMGVXUPVDHUPEG-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 43051715) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID43051715
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N4O/c1-7-2-4-8(5-3-7)6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyYMGVXUPVDHUPEG-UHFFFAOYSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Phenyl-1H-1,2,4-triazol-3-yl)butanamide
CID 20974734
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340663
4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340641
4-tert-butyl-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benzamide
CID 2340650
3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51107555
2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 51107569
N-[5-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]acetamide
CID 599808
N-(3-trifluoromethyl-1h-1,2,4-triazol-5-yl)-2,3,4,5-tetrafluorobenzamide
CID 12164575
4-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 53015037
N-(5-Methyl-4H-1,2,4-triazol-3-YL)benzamide
CID 53015134
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
3-fluoro-4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 43022522

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 43051715) is 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cc1ccc(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is YMGVXUPVDHUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-2-4-8(5-3-7)6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 284.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 43051715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).