8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H12F3N3O — CID 117145514

IUPAC8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(Cc3cccc(C(F)(F)F)c3)nnc12
InChIInChI=1S/C15H12F3N3O/c1-22-12-6-3-7-21-13(19-20-14(12)21)9-10-4-2-5-11(8-10)15(16,17)18/h2-8H,9H2,1H3
InChIKeyYCRFNZKTUHWKMJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.35
Rot. Bonds3

About 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine

8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117145514) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117145514
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccn2c(Cc3cccc(C(F)(F)F)c3)nnc12
InChIInChI=1S/C15H12F3N3O/c1-22-12-6-3-7-21-13(19-20-14(12)21)9-10-4-2-5-11(8-10)15(16,17)18/h2-8H,9H2,1H3
InChIKeyYCRFNZKTUHWKMJ-UHFFFAOYSA-N
XLogP3.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151554
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
7-(2-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50804884
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554
4-ethenyl-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 167653908
3-[(3,4-dimethoxyphenyl)methyl]-5-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 2732223
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152265
6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-quinazolin-4-one
CID 135909907
3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117145514) is 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccn2c(Cc3cccc(C(F)(F)F)c3)nnc12.
What is the InChIKey of 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YCRFNZKTUHWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-12-6-3-7-21-13(19-20-14(12)21)9-10-4-2-5-11(8-10)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 307.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117145514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).