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

C11H12ClN3S — CID 117134433

IUPAC7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(CC3CCCS3)nc2c1
InChIInChI=1S/C11H12ClN3S/c12-8-3-4-15-11(6-8)13-10(14-15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyQOTMORLQLCMJQA-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.82
Rot. Bonds2

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

7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134433) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134433
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(CC3CCCS3)nc2c1
InChIInChI=1S/C11H12ClN3S/c12-8-3-4-15-11(6-8)13-10(14-15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyQOTMORLQLCMJQA-UHFFFAOYSA-N
XLogP2.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129952
methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134480
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
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
2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136724
7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134724
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257910
8-methyl-2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136854
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117134433) is 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccn2nc(CC3CCCS3)nc2c1.
What is the InChIKey of 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QOTMORLQLCMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-8-3-4-15-11(6-8)13-10(14-15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 253.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).