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

C11H12ClN3S — CID 117138805

IUPAC6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(C3CCSCC3)n2c1
InChIInChI=1S/C11H12ClN3S/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyKBPQHPYCXWUMCF-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.99
Rot. Bonds1

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

6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138805) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138805
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(C3CCSCC3)n2c1
InChIInChI=1S/C11H12ClN3S/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2
InChIKeyKBPQHPYCXWUMCF-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

7-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143826
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138737
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866625
6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 137497434
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65349561
6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117138805) is 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc2nnc(C3CCSCC3)n2c1.
What is the InChIKey of 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KBPQHPYCXWUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-9-1-2-10-13-14-11(15(10)7-9)8-3-5-16-6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-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 6-chloro-3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).