1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine

C10H14F3N5S — CID 106431705

IUPAC1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCSC(F)(F)F)c21
InChIInChI=1S/C10H14F3N5S/c1-3-18-8-7(6(2)16-18)15-9(14)17(8)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyYCLPDFTYTYADDI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106431705) has the molecular formula C10H14F3N5S and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106431705
Molecular FormulaC10H14F3N5S
Molecular Weight293.32 g/mol
Exact Mass293.09
IUPAC Name1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCSC(F)(F)F)c21
InChIInChI=1S/C10H14F3N5S/c1-3-18-8-7(6(2)16-18)15-9(14)17(8)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyYCLPDFTYTYADDI-UHFFFAOYSA-N
XLogP2.40
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 106431705) is 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CCSC(F)(F)F)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is YCLPDFTYTYADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5S/c1-3-18-8-7(6(2)16-18)15-9(14)17(8)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15).
What are the key properties of 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 293.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106431705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).