7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H14ClN3S — CID 117144305

IUPAC7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccn2c(CC3CCCSC3)nnc2c1
InChIInChI=1S/C12H14ClN3S/c13-10-3-4-16-11(14-15-12(16)7-10)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeyONPDOIAASUAYJB-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.07
Rot. Bonds2

About 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117144305) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117144305
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccn2c(CC3CCCSC3)nnc2c1
InChIInChI=1S/C12H14ClN3S/c13-10-3-4-16-11(14-15-12(16)7-10)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeyONPDOIAASUAYJB-UHFFFAOYSA-N
XLogP3.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144306
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138870
methyl 3-(thiolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117144980
7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143826
3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143951
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
CID 117143877
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
3-(thiolan-3-ylmethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-7-one
CID 117143883

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117144305) is 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccn2c(CC3CCCSC3)nnc2c1.
What is the InChIKey of 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ONPDOIAASUAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c13-10-3-4-16-11(14-15-12(16)7-10)6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 267.78 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117144305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).