2-(2H-tetrazol-5-yl)ethyl acetate

C5H8N4O2 — CID 70454344

IUPAC2-(2H-tetrazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1nn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-4(10)11-3-2-5-6-8-9-7-5/h2-3H2,1H3,(H,6,7,8,9)
InChIKeySXAANXYIMAOMGN-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.69
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)ethyl acetate

2-(2H-tetrazol-5-yl)ethyl acetate (PubChem CID 70454344) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)ethyl acetate
PubChem CID70454344
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(2H-tetrazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1nn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-4(10)11-3-2-5-6-8-9-7-5/h2-3H2,1H3,(H,6,7,8,9)
InChIKeySXAANXYIMAOMGN-UHFFFAOYSA-N
XLogP-0.69
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2H-tetrazol-5-yl)ethyl acetate 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-(2H-tetrazol-5-yl)ethyl acetate?
The IUPAC name of 2-(2H-tetrazol-5-yl)ethyl acetate (CID 70454344) is 2-(2H-tetrazol-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)ethyl acetate?
The canonical SMILES for 2-(2H-tetrazol-5-yl)ethyl acetate is CC(=O)OCCc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)ethyl acetate?
The InChIKey is SXAANXYIMAOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-4(10)11-3-2-5-6-8-9-7-5/h2-3H2,1H3,(H,6,7,8,9).
What are the key properties of 2-(2H-tetrazol-5-yl)ethyl acetate?
2-(2H-tetrazol-5-yl)ethyl acetate has a molecular weight of 156.15 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)ethyl acetate is sourced from PubChem (CID 70454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).