6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C10H12F3N5S — CID 106434075

IUPAC6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5S/c1-14-7-6-18-4-2-16-9(18)8(17-7)15-3-5-19-10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,15,17)
InChIKeyBCMYLDIQMSXWSJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.44
Rot. Bonds5

About 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 106434075) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID106434075
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H12F3N5S/c1-14-7-6-18-4-2-16-9(18)8(17-7)15-3-5-19-10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,15,17)
InChIKeyBCMYLDIQMSXWSJ-UHFFFAOYSA-N
XLogP2.44
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
8-N-tert-butyl-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768283
6-N-methyl-8-N-(2,3,3-trimethylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 83147491
5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80852584
2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
CID 106311573
6-N-methyl-8-N-(4-propan-2-yloxybutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106014703
6-N-methyl-8-N-(2-methylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80832137
N-methyl-2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80784270
ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
CID 80816137

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 106434075) is 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is BCMYLDIQMSXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-14-7-6-18-4-2-16-9(18)8(17-7)15-3-5-19-10(11,12)13/h2,4,6,14H,3,5H2,1H3,(H,15,17).
What are the key properties of 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 291.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 106434075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).