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

C11H15F3N4O — CID 79305243

IUPAC1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-3-4-7-9-10(17(2)16-7)18(5-8(19)15-9)6-11(12,13)14/h3-6H2,1-2H3,(H,15,19)
InChIKeySUNRCRJEPYJKTI-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds3

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

1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79305243) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79305243
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-3-4-7-9-10(17(2)16-7)18(5-8(19)15-9)6-11(12,13)14/h3-6H2,1-2H3,(H,15,19)
InChIKeySUNRCRJEPYJKTI-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79305243) is 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is CCCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F.
What is the InChIKey of 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is SUNRCRJEPYJKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-3-4-7-9-10(17(2)16-7)18(5-8(19)15-9)6-11(12,13)14/h3-6H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 276.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79305243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).