2-(5-thiophen-2-yltetrazol-1-yl)ethanol

C7H8N4OS — CID 19860448

IUPAC2-(5-thiophen-2-yltetrazol-1-yl)ethanol
SMILESOCCn1nnnc1-c1cccs1
InChIInChI=1S/C7H8N4OS/c12-4-3-11-7(8-9-10-11)6-2-1-5-13-6/h1-2,5,12H,3-4H2
InChIKeyHADFERPVYHHGIT-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.39
Rot. Bonds3

About 2-(5-thiophen-2-yltetrazol-1-yl)ethanol

2-(5-thiophen-2-yltetrazol-1-yl)ethanol (PubChem CID 19860448) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(5-thiophen-2-yltetrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-thiophen-2-yltetrazol-1-yl)ethanol
PubChem CID19860448
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-(5-thiophen-2-yltetrazol-1-yl)ethanol
SMILESOCCn1nnnc1-c1cccs1
InChIInChI=1S/C7H8N4OS/c12-4-3-11-7(8-9-10-11)6-2-1-5-13-6/h1-2,5,12H,3-4H2
InChIKeyHADFERPVYHHGIT-UHFFFAOYSA-N
XLogP0.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yltetrazol-1-yl)ethanol?
The IUPAC name of 2-(5-thiophen-2-yltetrazol-1-yl)ethanol (CID 19860448) is 2-(5-thiophen-2-yltetrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-thiophen-2-yltetrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-thiophen-2-yltetrazol-1-yl)ethanol is OCCn1nnnc1-c1cccs1.
What is the InChIKey of 2-(5-thiophen-2-yltetrazol-1-yl)ethanol?
The InChIKey is HADFERPVYHHGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c12-4-3-11-7(8-9-10-11)6-2-1-5-13-6/h1-2,5,12H,3-4H2.
What are the key properties of 2-(5-thiophen-2-yltetrazol-1-yl)ethanol?
2-(5-thiophen-2-yltetrazol-1-yl)ethanol has a molecular weight of 196.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yltetrazol-1-yl)ethanol is sourced from PubChem (CID 19860448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).