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

C14H7F6N3 — CID 3696703

IUPAC7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nnc3cc(C(F)(F)F)ccn23)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)9-3-1-8(2-4-9)12-22-21-11-7-10(14(18,19)20)5-6-23(11)12/h1-7H
InChIKeyMYBZMHCZYAHRMH-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.43
Rot. Bonds1

About 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 3696703) has the molecular formula C14H7F6N3 and a molecular weight of 331.22 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID3696703
Molecular FormulaC14H7F6N3
Molecular Weight331.22 g/mol
Exact Mass331.05
IUPAC Name7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nnc3cc(C(F)(F)F)ccn23)cc1
InChIInChI=1S/C14H7F6N3/c15-13(16,17)9-3-1-8(2-4-9)12-22-21-11-7-10(14(18,19)20)5-6-23(11)12/h1-7H
InChIKeyMYBZMHCZYAHRMH-UHFFFAOYSA-N
XLogP4.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
8-methyl-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82059022
6-bromo-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080197
3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117143156
4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158557
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144561

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 3696703) is 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(-c2nnc3cc(C(F)(F)F)ccn23)cc1.
What is the InChIKey of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MYBZMHCZYAHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3/c15-13(16,17)9-3-1-8(2-4-9)12-22-21-11-7-10(14(18,19)20)5-6-23(11)12/h1-7H.
What are the key properties of 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 331.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 3696703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).