ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate

C12H14N4O2 — CID 90642861

IUPACethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)11-6-4-10(5-7-11)8-16-9(2)13-14-15-16/h4-7H,3,8H2,1-2H3
InChIKeyUWFKUWVZKDPIEC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.21
Rot. Bonds4

About ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate

ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate (PubChem CID 90642861) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
PubChem CID90642861
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)11-6-4-10(5-7-11)8-16-9(2)13-14-15-16/h4-7H,3,8H2,1-2H3
InChIKeyUWFKUWVZKDPIEC-UHFFFAOYSA-N
XLogP1.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 13302179
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone
CID 138382124
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
ethyl 3-amino-1-[(4-ethoxycarbonylphenyl)methyl]-5-methylpyrrole-2-carboxylate
CID 24754757
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 119068130
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate?
The IUPAC name of ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate (CID 90642861) is ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate?
The canonical SMILES for ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate is CCOC(=O)c1ccc(Cn2nnnc2C)cc1.
What is the InChIKey of ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate?
The InChIKey is UWFKUWVZKDPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-12(17)11-6-4-10(5-7-11)8-16-9(2)13-14-15-16/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate?
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate has a molecular weight of 246.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate is sourced from PubChem (CID 90642861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).