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

C11H16F3N5O — CID 79299851

IUPAC3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCOCC(F)(F)F
InChIInChI=1S/C11H16F3N5O/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)4-5-20-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyALFAUZFIVMEXNU-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.49
Rot. Bonds5

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

3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299851) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299851
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCOCC(F)(F)F
InChIInChI=1S/C11H16F3N5O/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)4-5-20-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyALFAUZFIVMEXNU-UHFFFAOYSA-N
XLogP1.49
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 79299851) is 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCOCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ALFAUZFIVMEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)4-5-20-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16).
What are the key properties of 3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 291.28 g/mol, XLogP of 1.49, 5 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-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).