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

C9H8N4O2 — CID 3155250

IUPAC3-(5-methyltetrazol-1-yl)benzoic acid
SMILESCc1nnnn1-c1cccc(C(=O)O)c1
InChIInChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-4-2-3-7(5-8)9(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJLXVSQOBCKTJJU-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.67
Rot. Bonds2

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

3-(5-methyltetrazol-1-yl)benzoic acid (PubChem CID 3155250) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)benzoic acid
PubChem CID3155250
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name3-(5-methyltetrazol-1-yl)benzoic acid
SMILESCc1nnnn1-c1cccc(C(=O)O)c1
InChIInChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-4-2-3-7(5-8)9(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJLXVSQOBCKTJJU-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-methyltetrazol-1-yl)benzoic 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 3-(5-methyltetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(5-methyltetrazol-1-yl)benzoic acid (CID 3155250) is 3-(5-methyltetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)benzoic acid is Cc1nnnn1-c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)benzoic acid?
The InChIKey is JLXVSQOBCKTJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-4-2-3-7(5-8)9(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 3-(5-methyltetrazol-1-yl)benzoic acid?
3-(5-methyltetrazol-1-yl)benzoic acid has a molecular weight of 204.19 g/mol, XLogP of 0.67, 2 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)benzoic acid is sourced from PubChem (CID 3155250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).