1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

C14H12F2N4S — CID 107525005

IUPAC1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESNC(CSc1nnc2ccccn12)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4S/c15-9-4-5-10(11(16)7-9)12(17)8-21-14-19-18-13-3-1-2-6-20(13)14/h1-7,12H,8,17H2
InChIKeySKGQULHLDYKJRB-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine

1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (PubChem CID 107525005) has the molecular formula C14H12F2N4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
PubChem CID107525005
Molecular FormulaC14H12F2N4S
Molecular Weight306.34 g/mol
Exact Mass306.08
IUPAC Name1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
SMILESNC(CSc1nnc2ccccn12)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N4S/c15-9-4-5-10(11(16)7-9)12(17)8-21-14-19-18-13-3-1-2-6-20(13)14/h1-7,12H,8,17H2
InChIKeySKGQULHLDYKJRB-UHFFFAOYSA-N
XLogP2.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine with MolForge

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Related Compounds

(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64899231
4-fluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62850910
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-difluorophenyl)ethanamine
CID 107524402
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
3-(3-bromo-2,2-dimethylpropyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 65000023
methyl 2-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 62849657
3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64927159
1-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 62850179
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 60678710

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine (CID 107525005) is 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is NC(CSc1nnc2ccccn12)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
The InChIKey is SKGQULHLDYKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4S/c15-9-4-5-10(11(16)7-9)12(17)8-21-14-19-18-13-3-1-2-6-20(13)14/h1-7,12H,8,17H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine?
1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine has a molecular weight of 306.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 107525005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).