4-amino-2-(2-methyltetrazol-5-yl)benzoic acid

C9H9N5O2 — CID 28643101

IUPAC4-amino-2-(2-methyltetrazol-5-yl)benzoic acid
SMILESCn1nnc(-c2cc(N)ccc2C(=O)O)n1
InChIInChI=1S/C9H9N5O2/c1-14-12-8(11-13-14)7-4-5(10)2-3-6(7)9(15)16/h2-4H,10H2,1H3,(H,15,16)
InChIKeyPTVPUOOIZUIJEN-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.16
Rot. Bonds2

About 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid

4-amino-2-(2-methyltetrazol-5-yl)benzoic acid (PubChem CID 28643101) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-methyltetrazol-5-yl)benzoic acid
PubChem CID28643101
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name4-amino-2-(2-methyltetrazol-5-yl)benzoic acid
SMILESCn1nnc(-c2cc(N)ccc2C(=O)O)n1
InChIInChI=1S/C9H9N5O2/c1-14-12-8(11-13-14)7-4-5(10)2-3-6(7)9(15)16/h2-4H,10H2,1H3,(H,15,16)
InChIKeyPTVPUOOIZUIJEN-UHFFFAOYSA-N
XLogP0.16
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methyltetrazol-5-yl)benzoic acid?
The IUPAC name of 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid (CID 28643101) is 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid.
What is the SMILES notation for 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid?
The canonical SMILES for 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid is Cn1nnc(-c2cc(N)ccc2C(=O)O)n1.
What is the InChIKey of 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid?
The InChIKey is PTVPUOOIZUIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-12-8(11-13-14)7-4-5(10)2-3-6(7)9(15)16/h2-4H,10H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid?
4-amino-2-(2-methyltetrazol-5-yl)benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methyltetrazol-5-yl)benzoic acid is sourced from PubChem (CID 28643101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).