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

C10H13F3N4O — CID 79307742

IUPAC1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCn1nc(C)c2c1N(CC(F)(F)F)CC(=O)N2
InChIInChI=1S/C10H13F3N4O/c1-3-17-9-8(6(2)15-17)14-7(18)4-16(9)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18)
InChIKeyLFFLYOFZBQWODJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.53
Rot. Bonds2

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

1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79307742) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79307742
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCn1nc(C)c2c1N(CC(F)(F)F)CC(=O)N2
InChIInChI=1S/C10H13F3N4O/c1-3-17-9-8(6(2)15-17)14-7(18)4-16(9)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18)
InChIKeyLFFLYOFZBQWODJ-UHFFFAOYSA-N
XLogP1.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79307742) is 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is CCn1nc(C)c2c1N(CC(F)(F)F)CC(=O)N2.
What is the InChIKey of 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is LFFLYOFZBQWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-3-17-9-8(6(2)15-17)14-7(18)4-16(9)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18).
What are the key properties of 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 262.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79307742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).