2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

C8H8F3N5O — CID 135702357

IUPAC2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCNc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1C
InChIInChI=1S/C8H8F3N5O/c1-12-5-3-4(15-16(5)2)13-7(8(9,10)11)14-6(3)17/h12H,1-2H3,(H,13,14,15,17)
InChIKeyORIGMRMUCYYICW-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.72
Rot. Bonds1

About 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702357) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702357
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCNc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1C
InChIInChI=1S/C8H8F3N5O/c1-12-5-3-4(15-16(5)2)13-7(8(9,10)11)14-6(3)17/h12H,1-2H3,(H,13,14,15,17)
InChIKeyORIGMRMUCYYICW-UHFFFAOYSA-N
XLogP0.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702357) is 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is CNc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1C.
What is the InChIKey of 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is ORIGMRMUCYYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c1-12-5-3-4(15-16(5)2)13-7(8(9,10)11)14-6(3)17/h12H,1-2H3,(H,13,14,15,17).
What are the key properties of 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 247.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).