1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

C9H11F3N4O — CID 79288558

IUPAC1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-5-7-8(15(2)14-5)16(3-6(17)13-7)4-9(10,11)12/h3-4H2,1-2H3,(H,13,17)
InChIKeyAAGMFHATHNVWES-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.05
Rot. Bonds1

About 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79288558) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79288558
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-5-7-8(15(2)14-5)16(3-6(17)13-7)4-9(10,11)12/h3-4H2,1-2H3,(H,13,17)
InChIKeyAAGMFHATHNVWES-UHFFFAOYSA-N
XLogP1.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79288558) is 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is Cc1nn(C)c2c1NC(=O)CN2CC(F)(F)F.
What is the InChIKey of 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is AAGMFHATHNVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-5-7-8(15(2)14-5)16(3-6(17)13-7)4-9(10,11)12/h3-4H2,1-2H3,(H,13,17).
What are the key properties of 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 248.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79288558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).