1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone

C15H11F3N4O — CID 11537042

IUPAC1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2ccnc3c(C(F)(F)F)cccc23)c1C
InChIInChI=1S/C15H11F3N4O/c1-8-13(9(2)23)20-21-22(8)12-6-7-19-14-10(12)4-3-5-11(14)15(16,17)18/h3-7H,1-2H3
InChIKeyCOVQIXRVVWSBKF-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.35
Rot. Bonds2

About 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone

1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone (PubChem CID 11537042) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone
PubChem CID11537042
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone
SMILESCC(=O)c1nnn(-c2ccnc3c(C(F)(F)F)cccc23)c1C
InChIInChI=1S/C15H11F3N4O/c1-8-13(9(2)23)20-21-22(8)12-6-7-19-14-10(12)4-3-5-11(14)15(16,17)18/h3-7H,1-2H3
InChIKeyCOVQIXRVVWSBKF-UHFFFAOYSA-N
XLogP3.35
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone (CID 11537042) is 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone is CC(=O)c1nnn(-c2ccnc3c(C(F)(F)F)cccc23)c1C.
What is the InChIKey of 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone?
The InChIKey is COVQIXRVVWSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-8-13(9(2)23)20-21-22(8)12-6-7-19-14-10(12)4-3-5-11(14)15(16,17)18/h3-7H,1-2H3.
What are the key properties of 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone?
1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone has a molecular weight of 320.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]ethanone is sourced from PubChem (CID 11537042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).