7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine

C17H16F3N3 — CID 139042151

IUPAC7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
SMILESCCCCc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12
InChIInChI=1S/C17H16F3N3/c1-2-3-5-14-6-4-7-15-16(21-22-23(14)15)12-8-10-13(11-9-12)17(18,19)20/h4,6-11H,2-3,5H2,1H3
InChIKeyMLGBXGKUQJSGQM-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.76
Rot. Bonds4

About 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine

7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine (PubChem CID 139042151) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
PubChem CID139042151
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC Name7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
SMILESCCCCc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12
InChIInChI=1S/C17H16F3N3/c1-2-3-5-14-6-4-7-15-16(21-22-23(14)15)12-8-10-13(11-9-12)17(18,19)20/h4,6-11H,2-3,5H2,1H3
InChIKeyMLGBXGKUQJSGQM-UHFFFAOYSA-N
XLogP4.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Difluorophenyl)-5-methyl-4-phenyltriazole
CID 342451
3,7-Dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
CID 24758071
2-(2,4-Dimethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758072
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
(E)-2-(5,6-difluorobenzotriazol-1-yl)-3-(4-methylphenyl)prop-2-enenitrile
CID 155817098
[9-Methyl-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-yl]methanamine
CID 122185833
1-Isopropyl-3,6-dimethyl-5-phenyl-pyrazolo[4,3-b]pyridine
CID 142608457
(E)-2-(benzotriazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 6474819
3-Methyl-1-phenyl-1,5,6,7-tetrahydro-1,2,4-triaza-s-indacen-8-ylamine
CID 11139995
1-(4-Fluorophenyl)-5-methyl-4-phenyltriazole
CID 118737664
1-(2-Methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole
CID 135062345
3-[4-(Trifluoromethyl)phenyl]-2-methylquinoxaline
CID 58090543

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The IUPAC name of 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine (CID 139042151) is 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine is CCCCc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12.
What is the InChIKey of 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The InChIKey is MLGBXGKUQJSGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-2-3-5-14-6-4-7-15-16(21-22-23(14)15)12-8-10-13(11-9-12)17(18,19)20/h4,6-11H,2-3,5H2,1H3.
What are the key properties of 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine has a molecular weight of 319.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 139042151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).