6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

C11H13N3S — CID 117128822

IUPAC6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(C3CCSC3)nn2c1
InChIInChI=1S/C11H13N3S/c1-8-2-3-10-12-11(13-14(10)6-8)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyKJSRMYHRNAVPPP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.26
Rot. Bonds1

About 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117128822) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117128822
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(C3CCSC3)nn2c1
InChIInChI=1S/C11H13N3S/c1-8-2-3-10-12-11(13-14(10)6-8)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyKJSRMYHRNAVPPP-UHFFFAOYSA-N
XLogP2.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
2-(1-ethylpyrrolidin-3-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117128859
7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134039
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117128913
6-methyl-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853436
6-methyl-2-(1-propylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 118744645
2-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 83816027
2-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71711015
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
CID 116989906
5-chloro-2-(thiolan-3-yl)imidazo[1,2-a]pyridine
CID 117131140
2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989594

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117128822) is 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(C3CCSC3)nn2c1.
What is the InChIKey of 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KJSRMYHRNAVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-2-3-10-12-11(13-14(10)6-8)9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 219.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117128822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).