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

C7H5F3N4O — CID 137286848

IUPAC1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C7H5F3N4O/c1-14-4-3(2-11-14)5(15)13-6(12-4)7(8,9)10/h2H,1H3,(H,12,13,15)
InChIKeyYVVKFTRAXUMBHU-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.68
Rot. Bonds

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

1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137286848) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137286848
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(C(F)(F)F)nc21
InChIInChI=1S/C7H5F3N4O/c1-14-4-3(2-11-14)5(15)13-6(12-4)7(8,9)10/h2H,1H3,(H,12,13,15)
InChIKeyYVVKFTRAXUMBHU-UHFFFAOYSA-N
XLogP0.68
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
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
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
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
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137286848) is 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(C(F)(F)F)nc21.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YVVKFTRAXUMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-14-4-3(2-11-14)5(15)13-6(12-4)7(8,9)10/h2H,1H3,(H,12,13,15).
What are the key properties of 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 218.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137286848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).