2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid

C10H10N4O2 — CID 82285364

IUPAC2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
SMILESCc1ccc(-n2nnc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(7(2)5-6)14-12-9(10(15)16)11-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyQJXPSXQIJXPLJW-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.98
Rot. Bonds2

About 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid

2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid (PubChem CID 82285364) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
PubChem CID82285364
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
SMILESCc1ccc(-n2nnc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(7(2)5-6)14-12-9(10(15)16)11-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyQJXPSXQIJXPLJW-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295196
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
2-(2,4-dimethylphenyl)triazol-4-amine
CID 116799236
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 13132138
1-(2,4-dimethylphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82479734
3-[2-(2-bromo-4-methylphenyl)tetrazol-5-yl]propanoic acid
CID 82308879
1-(2,4-dimethylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82093375
1-(2,4-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940423
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003167
5-benzyl-1-(2,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94940495

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid (CID 82285364) is 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid is Cc1ccc(-n2nnc(C(=O)O)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid?
The InChIKey is QJXPSXQIJXPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-4-8(7(2)5-6)14-12-9(10(15)16)11-13-14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid?
2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 82285364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).