6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

C9H10F3N7S — CID 106433931

IUPAC6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCSC(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C9H10F3N7S/c10-9(11,12)20-4-2-15-7-16-6(13)17-8(18-7)19-3-1-14-5-19/h1,3,5H,2,4H2,(H3,13,15,16,17,18)
InChIKeyQCLOENAWWBGVEB-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.30
Rot. Bonds5

About 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106433931) has the molecular formula C9H10F3N7S and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID106433931
Molecular FormulaC9H10F3N7S
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCSC(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C9H10F3N7S/c10-9(11,12)20-4-2-15-7-16-6(13)17-8(18-7)19-3-1-14-5-19/h1,3,5H,2,4H2,(H3,13,15,16,17,18)
InChIKeyQCLOENAWWBGVEB-UHFFFAOYSA-N
XLogP1.30
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-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 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 106433931) is 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(NCCSC(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QCLOENAWWBGVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N7S/c10-9(11,12)20-4-2-15-7-16-6(13)17-8(18-7)19-3-1-14-5-19/h1,3,5H,2,4H2,(H3,13,15,16,17,18).
What are the key properties of 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 305.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106433931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).