3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine

C14H10F3N3O — CID 146655201

IUPAC3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
SMILESCc1nnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C14H10F3N3O/c1-9-13-8-11(6-7-20(13)19-18-9)10-2-4-12(5-3-10)21-14(15,16)17/h2-8H,1H3
InChIKeyPZNUSOJKFXDDRZ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.60
Rot. Bonds2

About 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine

3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine (PubChem CID 146655201) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
PubChem CID146655201
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
SMILESCc1nnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C14H10F3N3O/c1-9-13-8-11(6-7-20(13)19-18-9)10-2-4-12(5-3-10)21-14(15,16)17/h2-8H,1H3
InChIKeyPZNUSOJKFXDDRZ-UHFFFAOYSA-N
XLogP3.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine?
The IUPAC name of 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine (CID 146655201) is 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine is Cc1nnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine?
The InChIKey is PZNUSOJKFXDDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-9-13-8-11(6-7-20(13)19-18-9)10-2-4-12(5-3-10)21-14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine?
3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine has a molecular weight of 293.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146655201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).