4-amino-2-(2H-tetrazol-5-yl)benzoic acid

C8H7N5O2 — CID 16767450

IUPAC4-amino-2-(2H-tetrazol-5-yl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O2/c9-4-1-2-5(8(14)15)6(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,14,15)(H,10,11,12,13)
InChIKeyONDXCVZKQOBBDX-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.15
Rot. Bonds2

About 4-amino-2-(2H-tetrazol-5-yl)benzoic acid

4-amino-2-(2H-tetrazol-5-yl)benzoic acid (PubChem CID 16767450) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-amino-2-(2H-tetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2H-tetrazol-5-yl)benzoic acid
PubChem CID16767450
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name4-amino-2-(2H-tetrazol-5-yl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O2/c9-4-1-2-5(8(14)15)6(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,14,15)(H,10,11,12,13)
InChIKeyONDXCVZKQOBBDX-UHFFFAOYSA-N
XLogP0.15
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2H-tetrazol-5-yl)benzoic acid?
The IUPAC name of 4-amino-2-(2H-tetrazol-5-yl)benzoic acid (CID 16767450) is 4-amino-2-(2H-tetrazol-5-yl)benzoic acid.
What is the SMILES notation for 4-amino-2-(2H-tetrazol-5-yl)benzoic acid?
The canonical SMILES for 4-amino-2-(2H-tetrazol-5-yl)benzoic acid is Nc1ccc(C(=O)O)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-amino-2-(2H-tetrazol-5-yl)benzoic acid?
The InChIKey is ONDXCVZKQOBBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-4-1-2-5(8(14)15)6(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,14,15)(H,10,11,12,13).
What are the key properties of 4-amino-2-(2H-tetrazol-5-yl)benzoic acid?
4-amino-2-(2H-tetrazol-5-yl)benzoic acid has a molecular weight of 205.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2H-tetrazol-5-yl)benzoic acid is sourced from PubChem (CID 16767450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).