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

C11H16F3N5S — CID 106431758

IUPAC1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C11H16F3N5S/c1-3-4-7-8-9(18(2)17-7)19(10(15)16-8)5-6-20-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyGTLLHSTYMADRGH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.56
Rot. Bonds5

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

1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106431758) has the molecular formula C11H16F3N5S and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106431758
Molecular FormulaC11H16F3N5S
Molecular Weight307.35 g/mol
Exact Mass307.11
IUPAC Name1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F
InChIInChI=1S/C11H16F3N5S/c1-3-4-7-8-9(18(2)17-7)19(10(15)16-8)5-6-20-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyGTLLHSTYMADRGH-UHFFFAOYSA-N
XLogP2.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 106431758) is 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2CCSC(F)(F)F.
What is the InChIKey of 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is GTLLHSTYMADRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5S/c1-3-4-7-8-9(18(2)17-7)19(10(15)16-8)5-6-20-11(12,13)14/h3-6H2,1-2H3,(H2,15,16).
What are the key properties of 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 307.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-6-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106431758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).