3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline

C14H14N4S — CID 62851222

IUPAC3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
SMILESCC(Sc1nnc2ccccn12)c1cccc(N)c1
InChIInChI=1S/C14H14N4S/c1-10(11-5-4-6-12(15)9-11)19-14-17-16-13-7-2-3-8-18(13)14/h2-10H,15H2,1H3
InChIKeyHWPZANIJZBVDPU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.16
Rot. Bonds3

About 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline

3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline (PubChem CID 62851222) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
PubChem CID62851222
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
SMILESCC(Sc1nnc2ccccn12)c1cccc(N)c1
InChIInChI=1S/C14H14N4S/c1-10(11-5-4-6-12(15)9-11)19-14-17-16-13-7-2-3-8-18(13)14/h2-10H,15H2,1H3
InChIKeyHWPZANIJZBVDPU-UHFFFAOYSA-N
XLogP3.16
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline 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-(3-methylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 62849104
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanol
CID 55238535
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
2-N-phenyl-6-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 9454040
3-(1-pyrimidin-2-ylsulfanylethyl)aniline
CID 61262589
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
1-(3-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-one
CID 42973094
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275

Frequently Asked Questions

What is the IUPAC name of 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline?
The IUPAC name of 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline (CID 62851222) is 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline.
What is the SMILES notation for 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline?
The canonical SMILES for 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline is CC(Sc1nnc2ccccn12)c1cccc(N)c1.
What is the InChIKey of 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline?
The InChIKey is HWPZANIJZBVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10(11-5-4-6-12(15)9-11)19-14-17-16-13-7-2-3-8-18(13)14/h2-10H,15H2,1H3.
What are the key properties of 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline?
3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline has a molecular weight of 270.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline is sourced from PubChem (CID 62851222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).