1-(2H-tetrazol-5-yl)ethyl acetate

C5H8N4O2 — CID 174385536

IUPAC1-(2H-tetrazol-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-3(11-4(2)10)5-6-8-9-7-5/h3H,1-2H3,(H,6,7,8,9)
InChIKeyQXRSZGBNBPKUNX-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.18
Rot. Bonds2

About 1-(2H-tetrazol-5-yl)ethyl acetate

1-(2H-tetrazol-5-yl)ethyl acetate (PubChem CID 174385536) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)ethyl acetate
PubChem CID174385536
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name1-(2H-tetrazol-5-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-3(11-4(2)10)5-6-8-9-7-5/h3H,1-2H3,(H,6,7,8,9)
InChIKeyQXRSZGBNBPKUNX-UHFFFAOYSA-N
XLogP-0.18
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)ethyl acetate?
The IUPAC name of 1-(2H-tetrazol-5-yl)ethyl acetate (CID 174385536) is 1-(2H-tetrazol-5-yl)ethyl acetate.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)ethyl acetate?
The canonical SMILES for 1-(2H-tetrazol-5-yl)ethyl acetate is CC(=O)OC(C)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)ethyl acetate?
The InChIKey is QXRSZGBNBPKUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(11-4(2)10)5-6-8-9-7-5/h3H,1-2H3,(H,6,7,8,9).
What are the key properties of 1-(2H-tetrazol-5-yl)ethyl acetate?
1-(2H-tetrazol-5-yl)ethyl acetate has a molecular weight of 156.14 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)ethyl acetate is sourced from PubChem (CID 174385536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).