3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

C8H8N6S — CID 55209832

IUPAC3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILES[N-]=[N+]=NCCSc1nnc2ccccn12
InChIInChI=1S/C8H8N6S/c9-13-10-4-6-15-8-12-11-7-3-1-2-5-14(7)8/h1-3,5H,4,6H2
InChIKeyVOAVNOBHWNDXFH-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 55209832) has the molecular formula C8H8N6S and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID55209832
Molecular FormulaC8H8N6S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILES[N-]=[N+]=NCCSc1nnc2ccccn12
InChIInChI=1S/C8H8N6S/c9-13-10-4-6-15-8-12-11-7-3-1-2-5-14(7)8/h1-3,5H,4,6H2
InChIKeyVOAVNOBHWNDXFH-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 55126543
5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
CID 60626204
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
N'-hydroxy-2,2-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 77062459
2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054977
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
4-fluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]aniline
CID 62850910
3-[2-(3-bromophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 60626196
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
CID 103074186
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 105061340

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 55209832) is 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is [N-]=[N+]=NCCSc1nnc2ccccn12.
What is the InChIKey of 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VOAVNOBHWNDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S/c9-13-10-4-6-15-8-12-11-7-3-1-2-5-14(7)8/h1-3,5H,4,6H2.
What are the key properties of 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 220.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 55209832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).