2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol

C10H11N3S2 — CID 103074186

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
SMILESC=C(CS)CSc1nnc2ccccn12
InChIInChI=1S/C10H11N3S2/c1-8(6-14)7-15-10-12-11-9-4-2-3-5-13(9)10/h2-5,14H,1,6-7H2
InChIKeySNYYSLGNGVKWOF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.31
Rot. Bonds4

About 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol (PubChem CID 103074186) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
PubChem CID103074186
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
SMILESC=C(CS)CSc1nnc2ccccn12
InChIInChI=1S/C10H11N3S2/c1-8(6-14)7-15-10-12-11-9-4-2-3-5-13(9)10/h2-5,14H,1,6-7H2
InChIKeySNYYSLGNGVKWOF-UHFFFAOYSA-N
XLogP2.31
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol (CID 103074186) is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol is C=C(CS)CSc1nnc2ccccn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol?
The InChIKey is SNYYSLGNGVKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-8(6-14)7-15-10-12-11-9-4-2-3-5-13(9)10/h2-5,14H,1,6-7H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol?
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol has a molecular weight of 237.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol is sourced from PubChem (CID 103074186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).