1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C9H12N4O — CID 135876286

IUPAC1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H12N4O/c1-9(2,3)13-7-6(4-12-13)8(14)11-5-10-7/h4-5H,1-3H3,(H,10,11,14)
InChIKeyZZRIVNFFUGROHS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.87
Rot. Bonds

About 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135876286) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135876286
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H12N4O/c1-9(2,3)13-7-6(4-12-13)8(14)11-5-10-7/h4-5H,1-3H3,(H,10,11,14)
InChIKeyZZRIVNFFUGROHS-UHFFFAOYSA-N
XLogP0.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 146312179
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
CID 135986041
1-tert-butyl-5H-pyrazolo[4,5-d]pyridazin-4-one
CID 155762496
1,6-ditert-butylpyrazolo[4,5-d]pyridazin-7-one;2,7-ditert-butyl-3H-pyrazolo[5,4-d]triazin-2-ium-4-one
CID 159763116
1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138050416
1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135453822
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
N-[1-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 137268396
1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263202
1-tert-butyl-6-[(4-methylcycloheptyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267771

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135876286) is 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZZRIVNFFUGROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-9(2,3)13-7-6(4-12-13)8(14)11-5-10-7/h4-5H,1-3H3,(H,10,11,14).
What are the key properties of 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135876286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).