2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid

C10H11N5O2S — CID 43524217

IUPAC2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC(c1ccncc1)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGFMTXXGUHIBDHM-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 43524217) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID43524217
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC(c1ccncc1)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGFMTXXGUHIBDHM-UHFFFAOYSA-N
XLogP0.85
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid (CID 43524217) is 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid is CC(c1ccncc1)n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GFMTXXGUHIBDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 265.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 43524217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).