4-(tetrazol-1-yl)benzoic acid

C8H6N4O2 — CID 674161

IUPAC4-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChIKeyDNFUQGMGGZFYPL-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.36
Rot. Bonds2

About 4-(tetrazol-1-yl)benzoic acid

4-(tetrazol-1-yl)benzoic acid (PubChem CID 674161) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(tetrazol-1-yl)benzoic acid
PubChem CID674161
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-(tetrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChIKeyDNFUQGMGGZFYPL-UHFFFAOYSA-N
XLogP0.36
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)benzoic acid?
The IUPAC name of 4-(tetrazol-1-yl)benzoic acid (CID 674161) is 4-(tetrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(tetrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(tetrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)benzoic acid?
The InChIKey is DNFUQGMGGZFYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,(H,13,14).
What are the key properties of 4-(tetrazol-1-yl)benzoic acid?
4-(tetrazol-1-yl)benzoic acid has a molecular weight of 190.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)benzoic acid is sourced from PubChem (CID 674161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).