(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol

C7H6ClN3S — CID 117257171

IUPAC(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESSCc1nnc2ccc(Cl)cn12
InChIInChI=1S/C7H6ClN3S/c8-5-1-2-6-9-10-7(4-12)11(6)3-5/h1-3,12H,4H2
InChIKeyQVHLENOCLPYIOD-UHFFFAOYSA-N
MW199.67 g/mol
LogP1.81
Rot. Bonds1

About (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol

(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (PubChem CID 117257171) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.

Molecular Properties

Compound Name(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
PubChem CID117257171
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESSCc1nnc2ccc(Cl)cn12
InChIInChI=1S/C7H6ClN3S/c8-5-1-2-6-9-10-7(4-12)11(6)3-5/h1-3,12H,4H2
InChIKeyQVHLENOCLPYIOD-UHFFFAOYSA-N
XLogP1.81
TPSA30.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol 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

2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257045
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 126827692
6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138805

Frequently Asked Questions

What is the IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (CID 117257171) is (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.
What is the SMILES notation for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The canonical SMILES for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is SCc1nnc2ccc(Cl)cn12.
What is the InChIKey of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The InChIKey is QVHLENOCLPYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-5-1-2-6-9-10-7(4-12)11(6)3-5/h1-3,12H,4H2.
What are the key properties of (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol has a molecular weight of 199.67 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is sourced from PubChem (CID 117257171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).