1-(4-ethylphenyl)tetrazole-5-carboxylic acid

C10H10N4O2 — CID 21366460

IUPAC1-(4-ethylphenyl)tetrazole-5-carboxylic acid
SMILESCCc1ccc(-n2nnnc2C(=O)O)cc1
InChIInChI=1S/C10H10N4O2/c1-2-7-3-5-8(6-4-7)14-9(10(15)16)11-12-13-14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyIPVWQWUASXAQLG-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds3

About 1-(4-ethylphenyl)tetrazole-5-carboxylic acid

1-(4-ethylphenyl)tetrazole-5-carboxylic acid (PubChem CID 21366460) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(4-ethylphenyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)tetrazole-5-carboxylic acid
PubChem CID21366460
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(4-ethylphenyl)tetrazole-5-carboxylic acid
SMILESCCc1ccc(-n2nnnc2C(=O)O)cc1
InChIInChI=1S/C10H10N4O2/c1-2-7-3-5-8(6-4-7)14-9(10(15)16)11-12-13-14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyIPVWQWUASXAQLG-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)tetrazole-5-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)tetrazole-5-carboxylic acid (CID 21366460) is 1-(4-ethylphenyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)tetrazole-5-carboxylic acid is CCc1ccc(-n2nnnc2C(=O)O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)tetrazole-5-carboxylic acid?
The InChIKey is IPVWQWUASXAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-7-3-5-8(6-4-7)14-9(10(15)16)11-12-13-14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 1-(4-ethylphenyl)tetrazole-5-carboxylic acid?
1-(4-ethylphenyl)tetrazole-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 21366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).