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

C11H12ClN3S — CID 117143826

IUPAC7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccn2c(C3CCSCC3)nnc2c1
InChIInChI=1S/C11H12ClN3S/c12-9-1-4-15-10(7-9)13-14-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyDJPFCMGMJBHKET-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.99
Rot. Bonds1

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

7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117143826) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117143826
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccn2c(C3CCSCC3)nnc2c1
InChIInChI=1S/C11H12ClN3S/c12-9-1-4-15-10(7-9)13-14-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKeyDJPFCMGMJBHKET-UHFFFAOYSA-N
XLogP2.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138805
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142917
7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144305
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83679024
1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
CID 117251665
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117143826) is 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccn2c(C3CCSCC3)nnc2c1.
What is the InChIKey of 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DJPFCMGMJBHKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-9-1-4-15-10(7-9)13-14-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2.
What are the key properties of 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 253.76 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117143826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).