1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline

C17H10F3N3 — CID 699626

IUPAC1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFC(F)(F)c1cccc(-c2nnc3ccc4ccccc4n23)c1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)13-6-3-5-12(10-13)16-22-21-15-9-8-11-4-1-2-7-14(11)23(15)16/h1-10H
InChIKeyFYOLBHBFJJJIIT-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.57
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline

1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 699626) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID699626
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline
SMILESFC(F)(F)c1cccc(-c2nnc3ccc4ccccc4n23)c1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)13-6-3-5-12(10-13)16-22-21-15-9-8-11-4-1-2-7-14(11)23(15)16/h1-10H
InChIKeyFYOLBHBFJJJIIT-UHFFFAOYSA-N
XLogP4.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline with MolForge

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Related Compounds

6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
3-[3-(trifluoromethyl)phenyl]-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 45197545
1-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-5-amine
CID 117250673
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335
3-phenyl-6-[3-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727439
3-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1235396
8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117147104
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline (CID 699626) is 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline is FC(F)(F)c1cccc(-c2nnc3ccc4ccccc4n23)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is FYOLBHBFJJJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)13-6-3-5-12(10-13)16-22-21-15-9-8-11-4-1-2-7-14(11)23(15)16/h1-10H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline?
1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 313.28 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 699626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).