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

C8H7N5O2 — CID 122164480

IUPAC3-(5-aminotetrazol-1-yl)benzoic acid
SMILESNc1nnnn1-c1cccc(C(=O)O)c1
InChIInChI=1S/C8H7N5O2/c9-8-10-11-12-13(8)6-3-1-2-5(4-6)7(14)15/h1-4H,(H,14,15)(H2,9,10,12)
InChIKeyGWTIQHFZLUPOCY-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.06
Rot. Bonds2

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

3-(5-aminotetrazol-1-yl)benzoic acid (PubChem CID 122164480) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-(5-aminotetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-aminotetrazol-1-yl)benzoic acid
PubChem CID122164480
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name3-(5-aminotetrazol-1-yl)benzoic acid
SMILESNc1nnnn1-c1cccc(C(=O)O)c1
InChIInChI=1S/C8H7N5O2/c9-8-10-11-12-13(8)6-3-1-2-5(4-6)7(14)15/h1-4H,(H,14,15)(H2,9,10,12)
InChIKeyGWTIQHFZLUPOCY-UHFFFAOYSA-N
XLogP-0.06
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminotetrazol-1-yl)benzoic acid?
The IUPAC name of 3-(5-aminotetrazol-1-yl)benzoic acid (CID 122164480) is 3-(5-aminotetrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(5-aminotetrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(5-aminotetrazol-1-yl)benzoic acid is Nc1nnnn1-c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(5-aminotetrazol-1-yl)benzoic acid?
The InChIKey is GWTIQHFZLUPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-8-10-11-12-13(8)6-3-1-2-5(4-6)7(14)15/h1-4H,(H,14,15)(H2,9,10,12).
What are the key properties of 3-(5-aminotetrazol-1-yl)benzoic acid?
3-(5-aminotetrazol-1-yl)benzoic acid has a molecular weight of 205.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminotetrazol-1-yl)benzoic acid is sourced from PubChem (CID 122164480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).