N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide

C11H9F3N4O — CID 175305670

IUPACN-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c1-6(19)16-9-3-7(10-5-15-18-17-10)2-8(4-9)11(12,13)14/h2-5H,1H3,(H,16,19)(H,15,17,18)
InChIKeyDBTOJXDNRFCMEE-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.45
Rot. Bonds2

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

N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 175305670) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID175305670
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC NameN-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c1-6(19)16-9-3-7(10-5-15-18-17-10)2-8(4-9)11(12,13)14/h2-5H,1H3,(H,16,19)(H,15,17,18)
InChIKeyDBTOJXDNRFCMEE-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 175305670) is N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(-c2cn[nH]n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DBTOJXDNRFCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6(19)16-9-3-7(10-5-15-18-17-10)2-8(4-9)11(12,13)14/h2-5H,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 270.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 175305670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).