5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C16H11F6N3O2 — CID 58118969

IUPAC5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1c(-c2ccc(OC(F)(F)F)cc2)ccc2nnc(C(F)(F)F)n12
InChIInChI=1S/C16H11F6N3O2/c1-26-8-12-11(9-2-4-10(5-3-9)27-16(20,21)22)6-7-13-23-24-14(25(12)13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyAGFOSFPJEGUFNF-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.46
Rot. Bonds4

About 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118969) has the molecular formula C16H11F6N3O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118969
Molecular FormulaC16H11F6N3O2
Molecular Weight391.27 g/mol
Exact Mass391.08
IUPAC Name5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1c(-c2ccc(OC(F)(F)F)cc2)ccc2nnc(C(F)(F)F)n12
InChIInChI=1S/C16H11F6N3O2/c1-26-8-12-11(9-2-4-10(5-3-9)27-16(20,21)22)6-7-13-23-24-14(25(12)13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyAGFOSFPJEGUFNF-UHFFFAOYSA-N
XLogP4.46
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 58118969) is 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COCc1c(-c2ccc(OC(F)(F)F)cc2)ccc2nnc(C(F)(F)F)n12.
What is the InChIKey of 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AGFOSFPJEGUFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2/c1-26-8-12-11(9-2-4-10(5-3-9)27-16(20,21)22)6-7-13-23-24-14(25(12)13)15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 391.27 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).