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

C9H12F3N5 — CID 79305334

IUPAC1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC(F)(F)F)c21
InChIInChI=1S/C9H12F3N5/c1-3-17-7-6(5(2)15-17)14-8(13)16(7)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyXSOQWDMFHGGYCH-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.71
Rot. Bonds2

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

1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305334) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79305334
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC Name1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC(F)(F)F)c21
InChIInChI=1S/C9H12F3N5/c1-3-17-7-6(5(2)15-17)14-8(13)16(7)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyXSOQWDMFHGGYCH-UHFFFAOYSA-N
XLogP1.71
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79305334) is 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC(F)(F)F)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is XSOQWDMFHGGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c1-3-17-7-6(5(2)15-17)14-8(13)16(7)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14).
What are the key properties of 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 247.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).