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

C7H6F3N5O — CID 135702345

IUPAC3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(C(F)(F)F)[nH]c(=O)c2c1N
InChIInChI=1S/C7H6F3N5O/c1-15-3(11)2-4(14-15)12-6(7(8,9)10)13-5(2)16/h11H2,1H3,(H,12,13,14,16)
InChIKeyZRWAREIPANBSGV-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.26
Rot. Bonds

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

3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702345) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702345
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(C(F)(F)F)[nH]c(=O)c2c1N
InChIInChI=1S/C7H6F3N5O/c1-15-3(11)2-4(14-15)12-6(7(8,9)10)13-5(2)16/h11H2,1H3,(H,12,13,14,16)
InChIKeyZRWAREIPANBSGV-UHFFFAOYSA-N
XLogP0.26
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136321308
N-(5-amino-4-cyano-1-methylpyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 20395969
3-(dimethylamino)-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702349
3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702351
2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702357
6-Methyl-1-(2,2,2-trifluoroethyl)-1,5-dihydro-4H-pyrazolo[3,4-D]pyrimidin-4-one
CID 137286846
1-Methyl-6-(trifluoromethyl)-1,5-dihydro-4H-pyrazolo[3,4-D]pyrimidin-4-one
CID 137286848
5-Amino-3-fluoro-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
CID 162755954
2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 178130985
3-fluoro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137184692
3,5-Diamino-1-methyl-1H-pyrazole-4-carboxamide
CID 20395947
6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702340

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702345) is 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1nc2nc(C(F)(F)F)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is ZRWAREIPANBSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c1-15-3(11)2-4(14-15)12-6(7(8,9)10)13-5(2)16/h11H2,1H3,(H,12,13,14,16).
What are the key properties of 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 233.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).