Chlorazanil

C₉H₈ClN₅ — CID 10374

About Chlorazanil

Chlorazanil (PubChem CID 10374) has the molecular formula C₉H₈ClN₅ and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: Chlorazanil
• PubChem CID: 10374
• Molecular Formula: C₉H₈ClN₅
• Molecular Weight: 221.65 g/mol
• Exact Mass: 221.05
• IUPAC Name: 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
• SMILES: Nc1ncnc(Nc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
• InChIKey: YRZQHIVOIFJEEE-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 76.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.65
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Chlorazanil?

The IUPAC name of Chlorazanil (CID 10374) is 2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for Chlorazanil?

The canonical SMILES for Chlorazanil is Nc1ncnc(Nc2ccc(Cl)cc2)n1.

What is the InChIKey of Chlorazanil?

The InChIKey is YRZQHIVOIFJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15).

What are the key properties of Chlorazanil?

Chlorazanil has a molecular weight of 221.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorazanil is sourced from PubChem (CID 10374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10374 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 591 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.