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

C15H20FN5 — CID 169373563

IUPAC5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC23CCCCC3)c(F)c1
InChIInChI=1S/C15H20FN5/c1-10-5-6-12(11(16)9-10)21-14(18)19-13(17)20-15(21)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H4,17,18,19,20)
InChIKeyODFNSMMWLGIQKH-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.24
Rot. Bonds1

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

5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169373563) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169373563
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1ccc(N2C(N)=NC(N)=NC23CCCCC3)c(F)c1
InChIInChI=1S/C15H20FN5/c1-10-5-6-12(11(16)9-10)21-14(18)19-13(17)20-15(21)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H4,17,18,19,20)
InChIKeyODFNSMMWLGIQKH-UHFFFAOYSA-N
XLogP2.24
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169373563) is 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1ccc(N2C(N)=NC(N)=NC23CCCCC3)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is ODFNSMMWLGIQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-10-5-6-12(11(16)9-10)21-14(18)19-13(17)20-15(21)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(2-fluoro-4-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-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169373563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).