ethyl 2-(tetrazol-1-yl)acetate

C5H8N4O2 — CID 14415264

IUPACethyl 2-(tetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1cnnn1
InChIInChI=1S/C5H8N4O2/c1-2-11-5(10)3-9-4-6-7-8-9/h4H,2-3H2,1H3
InChIKeyXEMPQKCXNIIWSS-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.76
Rot. Bonds3

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

ethyl 2-(tetrazol-1-yl)acetate (PubChem CID 14415264) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is ethyl 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(tetrazol-1-yl)acetate
PubChem CID14415264
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Nameethyl 2-(tetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1cnnn1
InChIInChI=1S/C5H8N4O2/c1-2-11-5(10)3-9-4-6-7-8-9/h4H,2-3H2,1H3
InChIKeyXEMPQKCXNIIWSS-UHFFFAOYSA-N
XLogP-0.76
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl tetrazol-1-ylmethyl carbonate
CID 54219861
ethyl 2-(tetrazol-1-yl)ethyl carbonate
CID 22074831
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
CID 7990386
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate
CID 8538196
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 60795222
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
methyl 3-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoate
CID 43422579
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tetrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(tetrazol-1-yl)acetate (CID 14415264) is ethyl 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(tetrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(tetrazol-1-yl)acetate is CCOC(=O)Cn1cnnn1.
What is the InChIKey of ethyl 2-(tetrazol-1-yl)acetate?
The InChIKey is XEMPQKCXNIIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-11-5(10)3-9-4-6-7-8-9/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(tetrazol-1-yl)acetate?
ethyl 2-(tetrazol-1-yl)acetate has a molecular weight of 156.15 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 14415264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).