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

C7H6ClN3S — CID 117257045

IUPAC(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESSCc1nnc2cccc(Cl)n12
InChIInChI=1S/C7H6ClN3S/c8-5-2-1-3-6-9-10-7(4-12)11(5)6/h1-3,12H,4H2
InChIKeyHBAPOTJEKFMGRT-UHFFFAOYSA-N
MW199.67 g/mol
LogP1.81
Rot. Bonds1

About (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol

(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (PubChem CID 117257045) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.

Molecular Properties

Compound Name(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
PubChem CID117257045
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESSCc1nnc2cccc(Cl)n12
InChIInChI=1S/C7H6ClN3S/c8-5-2-1-3-6-9-10-7(4-12)11(5)6/h1-3,12H,4H2
InChIKeyHBAPOTJEKFMGRT-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257005
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
CID 117142388
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141708
[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
CID 82343032
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141884
5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141885
3,5-diethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 66849171
(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 105433265
N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 11837351
2,5-dichloroimidazo[1,2-a]pyridin-3-amine
CID 130018287

Frequently Asked Questions

What is the IUPAC name of (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The IUPAC name of (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (CID 117257045) is (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.
What is the SMILES notation for (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The canonical SMILES for (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is SCc1nnc2cccc(Cl)n12.
What is the InChIKey of (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The InChIKey is HBAPOTJEKFMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-5-2-1-3-6-9-10-7(4-12)11(5)6/h1-3,12H,4H2.
What are the key properties of (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
(5-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 (5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is sourced from PubChem (CID 117257045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).