3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H15N7S — CID 166399843

IUPAC3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CCn3nnnc3CCc3ccsc3)nnc2c1
InChIInChI=1S/C15H15N7S/c1-2-8-21-13(3-1)16-17-14(21)6-9-22-15(18-19-20-22)5-4-12-7-10-23-11-12/h1-3,7-8,10-11H,4-6,9H2
InChIKeyVMKOJEGQPHWCEQ-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.81
Rot. Bonds6

About 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166399843) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166399843
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(CCn3nnnc3CCc3ccsc3)nnc2c1
InChIInChI=1S/C15H15N7S/c1-2-8-21-13(3-1)16-17-14(21)6-9-22-15(18-19-20-22)5-4-12-7-10-23-11-12/h1-3,7-8,10-11H,4-6,9H2
InChIKeyVMKOJEGQPHWCEQ-UHFFFAOYSA-N
XLogP1.81
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 166399843) is 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(CCn3nnnc3CCc3ccsc3)nnc2c1.
What is the InChIKey of 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VMKOJEGQPHWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-2-8-21-13(3-1)16-17-14(21)6-9-22-15(18-19-20-22)5-4-12-7-10-23-11-12/h1-3,7-8,10-11H,4-6,9H2.
What are the key properties of 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 325.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).