ethyl 4-(tetrazol-1-yl)benzoate

C10H10N4O2 — CID 826844

IUPACethyl 4-(tetrazol-1-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-5-9(6-4-8)14-7-11-12-13-14/h3-7H,2H2,1H3
InChIKeyLRINKFBMZVKNSN-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.84
Rot. Bonds3

About ethyl 4-(tetrazol-1-yl)benzoate

ethyl 4-(tetrazol-1-yl)benzoate (PubChem CID 826844) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is ethyl 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(tetrazol-1-yl)benzoate
PubChem CID826844
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Nameethyl 4-(tetrazol-1-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-5-9(6-4-8)14-7-11-12-13-14/h3-7H,2H2,1H3
InChIKeyLRINKFBMZVKNSN-UHFFFAOYSA-N
XLogP0.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(tetrazol-1-yl)benzoate 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 ethyl 4-(tetrazol-1-yl)benzoate?
The IUPAC name of ethyl 4-(tetrazol-1-yl)benzoate (CID 826844) is ethyl 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for ethyl 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for ethyl 4-(tetrazol-1-yl)benzoate is CCOC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of ethyl 4-(tetrazol-1-yl)benzoate?
The InChIKey is LRINKFBMZVKNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-16-10(15)8-3-5-9(6-4-8)14-7-11-12-13-14/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-(tetrazol-1-yl)benzoate?
ethyl 4-(tetrazol-1-yl)benzoate has a molecular weight of 218.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 826844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).