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

C15H20FN5 — CID 169373620

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

5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169373620) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169373620
• Molecular Formula: C15H20FN5
• Molecular Weight: 289.36 g/mol
• Exact Mass: 289.17
• IUPAC Name: 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: Cc1c(F)cccc1N1C(N)=NC(N)=NC12CCCCC2
• InChI: InChI=1S/C15H20FN5/c1-10-11(16)6-5-7-12(10)21-14(18)19-13(17)20-15(21)8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3,(H4,17,18,19,20)
• InChIKey: XKCUCARWGVXSBK-UHFFFAOYSA-N
• XLogP: 2.24
• 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	289.36
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169373620) is 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

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

The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1c(F)cccc1N1C(N)=NC(N)=NC12CCCCC2.

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

The InChIKey is XKCUCARWGVXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-10-11(16)6-5-7-12(10)21-14(18)19-13(17)20-15(21)8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3,(H4,17,18,19,20).

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

5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 289.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169373620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).