5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C15H19FN6O2 — CID 169373938

IUPAC5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cc(F)cc([N+](=O)[O-])c1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C15H19FN6O2/c1-9-7-10(16)8-11(22(23)24)12(9)21-14(18)19-13(17)20-15(21)5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H4,17,18,19,20)
InChIKeyMUTMTHJSWWOUCC-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.15
Rot. Bonds2

About 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169373938) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169373938
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cc(F)cc([N+](=O)[O-])c1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C15H19FN6O2/c1-9-7-10(16)8-11(22(23)24)12(9)21-14(18)19-13(17)20-15(21)5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H4,17,18,19,20)
InChIKeyMUTMTHJSWWOUCC-UHFFFAOYSA-N
XLogP2.15
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169373938) is 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1cc(F)cc([N+](=O)[O-])c1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is MUTMTHJSWWOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-9-7-10(16)8-11(22(23)24)12(9)21-14(18)19-13(17)20-15(21)5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 334.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methyl-6-nitrophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169373938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).