3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid

C11H12N4O2 — CID 62947580

IUPAC3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid
SMILESCCc1nnnn1-c1cccc(C(=O)O)c1C
InChIInChI=1S/C11H12N4O2/c1-3-10-12-13-14-15(10)9-6-4-5-8(7(9)2)11(16)17/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyPXNJEPWMIATYBK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.23
Rot. Bonds3

About 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid

3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid (PubChem CID 62947580) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid
PubChem CID62947580
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid
SMILESCCc1nnnn1-c1cccc(C(=O)O)c1C
InChIInChI=1S/C11H12N4O2/c1-3-10-12-13-14-15(10)9-6-4-5-8(7(9)2)11(16)17/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyPXNJEPWMIATYBK-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-tert-butyltetrazol-1-yl)-2-methylbenzoic acid
CID 55152859
5-(5-ethyltetrazol-1-yl)-2,4-difluorobenzoic acid
CID 60827521
2-chloro-5-(5-ethyltetrazol-1-yl)-6-methyl-3-phenylbenzoic acid
CID 174586362
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
CID 107209131
N-[2-(5-ethyltetrazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 136526581
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
3-[(1-cyclopropyltetrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82827132
4-(5-ethyltetrazol-1-yl)-3-nitrobenzoic acid
CID 60827696
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
N-[[1-(2-methyl-3-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107811053
4-amino-2-(5-propyltetrazol-1-yl)benzoic acid
CID 55178872
(E)-3-[4-(5-ethyltetrazol-1-yl)phenyl]prop-2-enoic acid
CID 113290745

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid?
The IUPAC name of 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid (CID 62947580) is 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid is CCc1nnnn1-c1cccc(C(=O)O)c1C.
What is the InChIKey of 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid?
The InChIKey is PXNJEPWMIATYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-10-12-13-14-15(10)9-6-4-5-8(7(9)2)11(16)17/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid?
3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyltetrazol-1-yl)-2-methylbenzoic acid is sourced from PubChem (CID 62947580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).