5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride

C14H18BrClN5- — CID 21177168

About 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride

5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride (PubChem CID 21177168) has the molecular formula C14H18BrClN5- and a molecular weight of 371.69 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
• PubChem CID: 21177168
• Molecular Formula: C14H18BrClN5-
• Molecular Weight: 371.69 g/mol
• Exact Mass: 370.04
• IUPAC Name: 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
• SMILES: NC1=NC2(CCCCC2)N(c2ccc(Br)cc2)C(N)=N1.[Cl-]
• InChI: InChI=1S/C14H18BrN5.ClH/c15-10-4-6-11(7-5-10)20-13(17)18-12(16)19-14(20)8-2-1-3-9-14;/h4-7H,1-3,8-9H2,(H4,16,17,18,19);1H/p-1
• InChIKey: RZEDUVKGTXJJNK-UHFFFAOYSA-M
• XLogP: -0.44
• TPSA: 80.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.69
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride?

The IUPAC name of 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride (CID 21177168) is 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride.

What is the SMILES notation for 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride?

The canonical SMILES for 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride is NC1=NC2(CCCCC2)N(c2ccc(Br)cc2)C(N)=N1.[Cl-].

What is the InChIKey of 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride?

The InChIKey is RZEDUVKGTXJJNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18BrN5.ClH/c15-10-4-6-11(7-5-10)20-13(17)18-12(16)19-14(20)8-2-1-3-9-14;/h4-7H,1-3,8-9H2,(H4,16,17,18,19);1H/p-1.

What are the key properties of 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride?

5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride has a molecular weight of 371.69 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride is sourced from PubChem (CID 21177168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).