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

C10H14F3N5S — CID 106431755

IUPAC3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C10H14F3N5S/c1-3-6-7-8(17(2)16-6)18(9(14)15-7)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyHJUOVSVUQXUDQK-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.17
Rot. Bonds4

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

3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106431755) has the molecular formula C10H14F3N5S and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106431755
Molecular FormulaC10H14F3N5S
Molecular Weight293.32 g/mol
Exact Mass293.09
IUPAC Name3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C10H14F3N5S/c1-3-6-7-8(17(2)16-6)18(9(14)15-7)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15)
InChIKeyHJUOVSVUQXUDQK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-Ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 79279408
1-Methyl-3-propyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79282278
5-(2-Chloroethyl)-1-methyl-3-propyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazole
CID 79283836
5-(1-Chloroethyl)-1-methyl-3-propyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazole
CID 79284617
1,3-Dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79296917
1,3-Dimethyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297153
1-Methyl-3-propyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299625
3-Ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299633
5-(Chloromethyl)-3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole
CID 79299656
5-(2-Chloroethyl)-3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazole
CID 79299722
3-Ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79299851
5-(1-Chloroethyl)-3-ethyl-1-methyl-6-(3,3,3-trifluoropropyl)imidazo[4,5-d]pyrazole
CID 79300499

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 106431755) is 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is HJUOVSVUQXUDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5S/c1-3-6-7-8(17(2)16-6)18(9(14)15-7)4-5-19-10(11,12)13/h3-5H2,1-2H3,(H2,14,15).
What are the key properties of 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 293.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).