2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H16N4OS — CID 21464440

IUPAC2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOc1ccc(N)c2nc(SCc3ccccc3)nn12
InChIInChI=1S/C15H16N4OS/c1-2-20-13-9-8-12(16)14-17-15(18-19(13)14)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3
InChIKeyFREMXQOFEPEYRE-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.00
Rot. Bonds5

About 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 21464440) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID21464440
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCOc1ccc(N)c2nc(SCc3ccccc3)nn12
InChIInChI=1S/C15H16N4OS/c1-2-20-13-9-8-12(16)14-17-15(18-19(13)14)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3
InChIKeyFREMXQOFEPEYRE-UHFFFAOYSA-N
XLogP3.00
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 21464440) is 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCOc1ccc(N)c2nc(SCc3ccccc3)nn12.
What is the InChIKey of 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is FREMXQOFEPEYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-20-13-9-8-12(16)14-17-15(18-19(13)14)21-10-11-6-4-3-5-7-11/h3-9H,2,10,16H2,1H3.
What are the key properties of 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 300.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 21464440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).