N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide

C13H10F3N5O — CID 71216178

IUPACN-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)[nH]n3n2)cc1
InChIInChI=1S/C13H10F3N5O/c1-7(22)17-9-4-2-8(3-5-9)12-18-11-6-10(13(14,15)16)19-21(11)20-12/h2-6,19H,1H3,(H,17,22)
InChIKeyHEQHJYWLLKSBHC-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.70
Rot. Bonds2

About N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide

N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide (PubChem CID 71216178) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide
PubChem CID71216178
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC NameN-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)[nH]n3n2)cc1
InChIInChI=1S/C13H10F3N5O/c1-7(22)17-9-4-2-8(3-5-9)12-18-11-6-10(13(14,15)16)19-21(11)20-12/h2-6,19H,1H3,(H,17,22)
InChIKeyHEQHJYWLLKSBHC-UHFFFAOYSA-N
XLogP2.70
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide (CID 71216178) is N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)[nH]n3n2)cc1.
What is the InChIKey of N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide?
The InChIKey is HEQHJYWLLKSBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-7(22)17-9-4-2-8(3-5-9)12-18-11-6-10(13(14,15)16)19-21(11)20-12/h2-6,19H,1H3,(H,17,22).
What are the key properties of N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide?
N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide has a molecular weight of 309.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 71216178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).