6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H7F3N4O — CID 137286846

IUPAC6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F3N4O/c1-4-13-6-5(7(16)14-4)2-12-15(6)3-8(9,10)11/h2H,3H2,1H3,(H,13,14,16)
InChIKeyAKEZOOWPXROVKH-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.99
Rot. Bonds1

About 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137286846) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137286846
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F3N4O/c1-4-13-6-5(7(16)14-4)2-12-15(6)3-8(9,10)11/h2H,3H2,1H3,(H,13,14,16)
InChIKeyAKEZOOWPXROVKH-UHFFFAOYSA-N
XLogP0.99
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135400935
1-cyclopentyl-6-[(1R)-1-(3-fluoropyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236307
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639
1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135535880
1-methyl-6-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136051657

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137286846) is 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AKEZOOWPXROVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-4-13-6-5(7(16)14-4)2-12-15(6)3-8(9,10)11/h2H,3H2,1H3,(H,13,14,16).
What are the key properties of 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 232.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137286846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).