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

C8H10F3N5 — CID 79296917

IUPAC1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C8H10F3N5/c1-4-5-6(15(2)14-4)16(7(12)13-5)3-8(9,10)11/h3H2,1-2H3,(H2,12,13)
InChIKeyFSPMPSAUBINKRB-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.22
Rot. Bonds1

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

1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79296917) has the molecular formula C8H10F3N5 and a molecular weight of 233.20 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79296917
Molecular FormulaC8H10F3N5
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC Name1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C8H10F3N5/c1-4-5-6(15(2)14-4)16(7(12)13-5)3-8(9,10)11/h3H2,1-2H3,(H2,12,13)
InChIKeyFSPMPSAUBINKRB-UHFFFAOYSA-N
XLogP1.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79296917) is 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2CC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is FSPMPSAUBINKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5/c1-4-5-6(15(2)14-4)16(7(12)13-5)3-8(9,10)11/h3H2,1-2H3,(H2,12,13).
What are the key properties of 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 233.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79296917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).