7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C8H8ClN3S — CID 117257910

IUPAC7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSCc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C8H8ClN3S/c1-13-5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3
InChIKeyBRCJGLUDUBKCJV-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.25
Rot. Bonds2

About 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117257910) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117257910
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCSCc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C8H8ClN3S/c1-13-5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3
InChIKeyBRCJGLUDUBKCJV-UHFFFAOYSA-N
XLogP2.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257860
7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135580
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117133947
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134433
6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257760
2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol
CID 116990246
(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116990287
7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134724

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117257910) is 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is CSCc1nc2cc(Cl)ccn2n1.
What is the InChIKey of 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BRCJGLUDUBKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-13-5-7-10-8-4-6(9)2-3-12(8)11-7/h2-4H,5H2,1H3.
What are the key properties of 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 213.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117257910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).