N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide

C15H11F3N6O — CID 166387836

IUPACN-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(C(F)(F)F)nc2)nn1)Nc1ccccn1
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)12-5-4-10(7-20-12)11-8-24(23-22-11)9-14(25)21-13-3-1-2-6-19-13/h1-8H,9H2,(H,19,21,25)
InChIKeyHJJIWXSRGKXNLJ-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.39
Rot. Bonds4

About N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide

N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide (PubChem CID 166387836) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
PubChem CID166387836
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC NameN-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(C(F)(F)F)nc2)nn1)Nc1ccccn1
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)12-5-4-10(7-20-12)11-8-24(23-22-11)9-14(25)21-13-3-1-2-6-19-13/h1-8H,9H2,(H,19,21,25)
InChIKeyHJJIWXSRGKXNLJ-UHFFFAOYSA-N
XLogP2.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide?
The IUPAC name of N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide (CID 166387836) is N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide?
The canonical SMILES for N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(C(F)(F)F)nc2)nn1)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide?
The InChIKey is HJJIWXSRGKXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-15(17,18)12-5-4-10(7-20-12)11-8-24(23-22-11)9-14(25)21-13-3-1-2-6-19-13/h1-8H,9H2,(H,19,21,25).
What are the key properties of N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide?
N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide has a molecular weight of 348.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide is sourced from PubChem (CID 166387836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).