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

C14H13F3N4 — CID 105393195

IUPAC3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(C3CCCCC3C(F)(F)F)nnc2c1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-4-2-1-3-10(11)13-20-19-12-7-9(8-18)5-6-21(12)13/h5-7,10-11H,1-4H2
InChIKeyAKTGPLSLYMOMJL-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.44
Rot. Bonds1

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

3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393195) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393195
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(C3CCCCC3C(F)(F)F)nnc2c1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-4-2-1-3-10(11)13-20-19-12-7-9(8-18)5-6-21(12)13/h5-7,10-11H,1-4H2
InChIKeyAKTGPLSLYMOMJL-UHFFFAOYSA-N
XLogP3.44
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393074
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 114040622

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393195) is 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(C3CCCCC3C(F)(F)F)nnc2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is AKTGPLSLYMOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)11-4-2-1-3-10(11)13-20-19-12-7-9(8-18)5-6-21(12)13/h5-7,10-11H,1-4H2.
What are the key properties of 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 294.28 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).