3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole

C12H12N4OS — CID 2424821

IUPAC3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc2ccccn12
InChIInChI=1S/C12H12N4OS/c1-8-10(9(2)17-15-8)7-18-12-14-13-11-5-3-4-6-16(11)12/h3-6H,7H2,1-2H3
InChIKeyZPPGCPKZYMCPGB-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.63
Rot. Bonds3

About 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole

3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 2424821) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
PubChem CID2424821
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1nnc2ccccn12
InChIInChI=1S/C12H12N4OS/c1-8-10(9(2)17-15-8)7-18-12-14-13-11-5-3-4-6-16(11)12/h3-6H,7H2,1-2H3
InChIKeyZPPGCPKZYMCPGB-UHFFFAOYSA-N
XLogP2.63
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole (CID 2424821) is 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSc1nnc2ccccn12.
What is the InChIKey of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is ZPPGCPKZYMCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-10(9(2)17-15-8)7-18-12-14-13-11-5-3-4-6-16(11)12/h3-6H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 260.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 2424821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).