4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid

C11H12N4O3 — CID 107209131

IUPAC4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
SMILESCCc1nnnn1-c1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-3-10-12-13-14-15(10)7-4-5-8(11(16)17)9(6-7)18-2/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyNZGTXVHQAVZAGW-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.93
Rot. Bonds4

About 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid

4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid (PubChem CID 107209131) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
PubChem CID107209131
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
SMILESCCc1nnnn1-c1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-3-10-12-13-14-15(10)7-4-5-8(11(16)17)9(6-7)18-2/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyNZGTXVHQAVZAGW-UHFFFAOYSA-N
XLogP0.93
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid 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 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid?
The IUPAC name of 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid (CID 107209131) is 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid is CCc1nnnn1-c1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid?
The InChIKey is NZGTXVHQAVZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-3-10-12-13-14-15(10)7-4-5-8(11(16)17)9(6-7)18-2/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid?
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 107209131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).