1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine

C14H13FN4S — CID 63808629

IUPAC1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1nnc2ccccn12
InChIInChI=1S/C14H13FN4S/c1-16-9-10-8-11(15)5-6-12(10)20-14-18-17-13-4-2-3-7-19(13)14/h2-8,16H,9H2,1H3
InChIKeyUKEMSHLJEQMHER-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.74
Rot. Bonds4

About 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine

1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine (PubChem CID 63808629) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
PubChem CID63808629
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1nnc2ccccn12
InChIInChI=1S/C14H13FN4S/c1-16-9-10-8-11(15)5-6-12(10)20-14-18-17-13-4-2-3-7-19(13)14/h2-8,16H,9H2,1H3
InChIKeyUKEMSHLJEQMHER-UHFFFAOYSA-N
XLogP2.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 60678710
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
(1R)-1-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63371478
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
CID 80650906
N-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methyl]ethanamine
CID 63807416
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
1-[3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylethanamine
CID 62912278
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 107525005
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzaldehyde
CID 63803060
4-fluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62850910

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine (CID 63808629) is 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1nnc2ccccn12.
What is the InChIKey of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine?
The InChIKey is UKEMSHLJEQMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-16-9-10-8-11(15)5-6-12(10)20-14-18-17-13-4-2-3-7-19(13)14/h2-8,16H,9H2,1H3.
What are the key properties of 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63808629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).