N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine

C11H11FN4 — CID 143348030

IUPACN-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(NC2=CC=CCC=C2)n1
InChIInChI=1S/C11H11FN4/c1-8-13-10(12)16-11(14-8)15-9-6-4-2-3-5-7-9/h2,4-7H,3H2,1H3,(H,13,14,15,16)
InChIKeyLCKZCMOUDLYDDW-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.13
Rot. Bonds2

About N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine

N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine (PubChem CID 143348030) has the molecular formula C11H11FN4 and a molecular weight of 218.23 g/mol. Its IUPAC name is N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine
PubChem CID143348030
Molecular FormulaC11H11FN4
Molecular Weight218.23 g/mol
Exact Mass218.10
IUPAC NameN-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(F)nc(NC2=CC=CCC=C2)n1
InChIInChI=1S/C11H11FN4/c1-8-13-10(12)16-11(14-8)15-9-6-4-2-3-5-7-9/h2,4-7H,3H2,1H3,(H,13,14,15,16)
InChIKeyLCKZCMOUDLYDDW-UHFFFAOYSA-N
XLogP2.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine 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 N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine (CID 143348030) is N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine is Cc1nc(F)nc(NC2=CC=CCC=C2)n1.
What is the InChIKey of N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is LCKZCMOUDLYDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-8-13-10(12)16-11(14-8)15-9-6-4-2-3-5-7-9/h2,4-7H,3H2,1H3,(H,13,14,15,16).
What are the key properties of N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine?
N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 218.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,6-trien-1-yl-4-fluoro-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 143348030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).