7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H16F3N3O2 — CID 144811137

IUPAC7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CCC(Oc2ccn3cnnc3c2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O2/c1-21-9-2-4-10(5-3-9)22-11-6-7-20-8-18-19-13(20)12(11)14(15,16)17/h6-10H,2-5H2,1H3
InChIKeyUBJOZWCYOPNRJR-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.08
Rot. Bonds3

About 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 144811137) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID144811137
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CCC(Oc2ccn3cnnc3c2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3N3O2/c1-21-9-2-4-10(5-3-9)22-11-6-7-20-8-18-19-13(20)12(11)14(15,16)17/h6-10H,2-5H2,1H3
InChIKeyUBJOZWCYOPNRJR-UHFFFAOYSA-N
XLogP3.08
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 144811137) is 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COC1CCC(Oc2ccn3cnnc3c2C(F)(F)F)CC1.
What is the InChIKey of 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UBJOZWCYOPNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-21-9-2-4-10(5-3-9)22-11-6-7-20-8-18-19-13(20)12(11)14(15,16)17/h6-10H,2-5H2,1H3.
What are the key properties of 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 315.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 144811137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).