3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid

C15H12N4O2 — CID 151002754

IUPAC3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
SMILESCc1nnnn1-c1cc(C(=O)O)cc(-c2ccccc2)c1
InChIInChI=1S/C15H12N4O2/c1-10-16-17-18-19(10)14-8-12(7-13(9-14)15(20)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)
InChIKeyLULNJGXEJMPCAR-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.34
Rot. Bonds3

About 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid

3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid (PubChem CID 151002754) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
PubChem CID151002754
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
SMILESCc1nnnn1-c1cc(C(=O)O)cc(-c2ccccc2)c1
InChIInChI=1S/C15H12N4O2/c1-10-16-17-18-19(10)14-8-12(7-13(9-14)15(20)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)
InChIKeyLULNJGXEJMPCAR-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-(5-propyltetrazol-1-yl)benzoic acid
CID 69004448
2-chloro-3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 174586324
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
3-(5-propan-2-yltetrazol-1-yl)-5-(4-sulfanylphenyl)benzoic acid
CID 157474452
3-(2-fluorophenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid
CID 71299891
3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
2-methyl-5-(5-methyltetrazol-1-yl)benzoic acid
CID 63653713
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
2-chloro-6-fluoro-5-(5-methyltetrazol-1-yl)-3-phenylbenzoic acid
CID 174586357
(4-methyl-1,4-diazepan-1-yl)-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 71709137
3-(2-chloro-4-fluorophenyl)-5-(5-ethyltetrazol-1-yl)benzoic acid
CID 69000545

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid (CID 151002754) is 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid is Cc1nnnn1-c1cc(C(=O)O)cc(-c2ccccc2)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid?
The InChIKey is LULNJGXEJMPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-16-17-18-19(10)14-8-12(7-13(9-14)15(20)21)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21).
What are the key properties of 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid?
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid has a molecular weight of 280.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid is sourced from PubChem (CID 151002754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).