Acitazanolast

C₉H₇N₅O₃ — CID 2006

About Acitazanolast

Acitazanolast (PubChem CID 2006) has the molecular formula C₉H₇N₅O₃ and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid.

Molecular Properties

• Compound Name: Acitazanolast
• PubChem CID: 2006
• Molecular Formula: C₉H₇N₅O₃
• Molecular Weight: 233.19 g/mol
• Exact Mass: 233.05
• IUPAC Name: 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
• SMILES: O=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1
• InChI: InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
• InChIKey: VWQZJJZGISNFOE-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 120.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.19
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Acitazanolast?

The IUPAC name of Acitazanolast (CID 2006) is 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid.

What is the SMILES notation for Acitazanolast?

The canonical SMILES for Acitazanolast is O=C(O)C(=O)Nc1cccc(-c2nn[nH]n2)c1.

What is the InChIKey of Acitazanolast?

The InChIKey is VWQZJJZGISNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14).

What are the key properties of Acitazanolast?

Acitazanolast has a molecular weight of 233.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Acitazanolast is sourced from PubChem (CID 2006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2006 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 77 — approved-drug record (CC BY-SA 4.0)

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