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

C9H12F3N5S — CID 106431749

IUPAC1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C9H12F3N5S/c1-5-6-7(16(2)15-5)17(8(13)14-6)3-4-18-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyRDWXCVBLNONTNO-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.91
Rot. Bonds3

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

1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106431749) has the molecular formula C9H12F3N5S and a molecular weight of 279.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106431749
Molecular FormulaC9H12F3N5S
Molecular Weight279.29 g/mol
Exact Mass279.08
IUPAC Name1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C9H12F3N5S/c1-5-6-7(16(2)15-5)17(8(13)14-6)3-4-18-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyRDWXCVBLNONTNO-UHFFFAOYSA-N
XLogP1.91
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 106431749) is 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2CCSC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is RDWXCVBLNONTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5S/c1-5-6-7(16(2)15-5)17(8(13)14-6)3-4-18-9(10,11)12/h3-4H2,1-2H3,(H2,13,14).
What are the key properties of 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 279.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).