3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C14H12FN3O — CID 117140586

IUPAC3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(Cc3ccc(F)cc3)n12
InChIInChI=1S/C14H12FN3O/c1-19-14-4-2-3-12-16-17-13(18(12)14)9-10-5-7-11(15)8-6-10/h2-8H,9H2,1H3
InChIKeyMSJAITMGAZFMCO-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.47
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140586) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117140586
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(Cc3ccc(F)cc3)n12
InChIInChI=1S/C14H12FN3O/c1-19-14-4-2-3-12-16-17-13(18(12)14)9-10-5-7-11(15)8-6-10/h2-8H,9H2,1H3
InChIKeyMSJAITMGAZFMCO-UHFFFAOYSA-N
XLogP2.47
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141154
5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117140566
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117142098
3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 138707245
7-chloro-3-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425926
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141228
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
6-(2,3-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985736
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
(4-fluorophenyl)methyl-trimethoxysilane
CID 90171265
6-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985748

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117140586) is 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc2nnc(Cc3ccc(F)cc3)n12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MSJAITMGAZFMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-14-4-2-3-12-16-17-13(18(12)14)9-10-5-7-11(15)8-6-10/h2-8H,9H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 257.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).