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

C10H13F3N4O — CID 79300369

IUPAC3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-3-6-8-9(16(2)15-6)17(4-7(18)14-8)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18)
InChIKeyBBQJFLPWUDCITQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.30
Rot. Bonds2

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

3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79300369) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79300369
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-3-6-8-9(16(2)15-6)17(4-7(18)14-8)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18)
InChIKeyBBQJFLPWUDCITQ-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79300369) is 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is CCc1nn(C)c2c1NC(=O)CN2CC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is BBQJFLPWUDCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-3-6-8-9(16(2)15-6)17(4-7(18)14-8)5-10(11,12)13/h3-5H2,1-2H3,(H,14,18).
What are the key properties of 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
3-ethyl-1-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 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-7-(2,2,2-trifluoroethyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79300369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).