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

C13H13F3N4O — CID 122141341

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(NC(=O)Cc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H13F3N4O/c1-8-17-12(20(2)19-8)18-11(21)7-9-5-3-4-6-10(9)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,18,19,21)
InChIKeyDJSYUHVNPSTULZ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.32
Rot. Bonds3

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

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 122141341) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID122141341
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(NC(=O)Cc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H13F3N4O/c1-8-17-12(20(2)19-8)18-11(21)7-9-5-3-4-6-10(9)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,18,19,21)
InChIKeyDJSYUHVNPSTULZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
CID 154796792
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2,2-difluoroacetamide
CID 130710336
N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 71878913
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43214376
N'-(1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-6-yl)-2-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 137465390
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 122141336
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 122141341) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is Cc1nc(NC(=O)Cc2ccccc2C(F)(F)F)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DJSYUHVNPSTULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-17-12(20(2)19-8)18-11(21)7-9-5-3-4-6-10(9)13(14,15)16/h3-6H,7H2,1-2H3,(H,17,18,19,21).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 298.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122141341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).