ethyl 2-(5-phenyltetrazol-1-yl)acetate

C11H12N4O2 — CID 676942

IUPACethyl 2-(5-phenyltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-2-17-10(16)8-15-11(12-13-14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWOZGQVHOQFTVOI-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-(5-phenyltetrazol-1-yl)acetate

ethyl 2-(5-phenyltetrazol-1-yl)acetate (PubChem CID 676942) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 2-(5-phenyltetrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-phenyltetrazol-1-yl)acetate
PubChem CID676942
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 2-(5-phenyltetrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-2-17-10(16)8-15-11(12-13-14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWOZGQVHOQFTVOI-UHFFFAOYSA-N
XLogP0.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenyltetrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-phenyltetrazol-1-yl)acetate (CID 676942) is ethyl 2-(5-phenyltetrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-phenyltetrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-phenyltetrazol-1-yl)acetate is CCOC(=O)Cn1nnnc1-c1ccccc1.
What is the InChIKey of ethyl 2-(5-phenyltetrazol-1-yl)acetate?
The InChIKey is WOZGQVHOQFTVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-10(16)8-15-11(12-13-14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(5-phenyltetrazol-1-yl)acetate?
ethyl 2-(5-phenyltetrazol-1-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenyltetrazol-1-yl)acetate is sourced from PubChem (CID 676942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).