pyrazolo[3,4-d]pyrimidin-3-one

C5H2N4O — CID 66667981

IUPACpyrazolo[3,4-d]pyrimidin-3-one
SMILESO=C1N=Nc2ncncc21
InChIInChI=1S/C5H2N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H
InChIKeyNSQYMQABPXEHOY-UHFFFAOYSA-N
MW134.10 g/mol
LogP0.71
Rot. Bonds

About pyrazolo[3,4-d]pyrimidin-3-one

pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 66667981) has the molecular formula C5H2N4O and a molecular weight of 134.10 g/mol. Its IUPAC name is pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Namepyrazolo[3,4-d]pyrimidin-3-one
PubChem CID66667981
Molecular FormulaC5H2N4O
Molecular Weight134.10 g/mol
Exact Mass134.02
IUPAC Namepyrazolo[3,4-d]pyrimidin-3-one
SMILESO=C1N=Nc2ncncc21
InChIInChI=1S/C5H2N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H
InChIKeyNSQYMQABPXEHOY-UHFFFAOYSA-N
XLogP0.71
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
thieno[2,3-d]pyrimidin-5-one
CID 140897228
8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
CID 21300105
CID 157156621
CID 157156621
6,7,7-trimethylpyrrolo[3,4-d]pyrimidin-5-one
CID 21300280
methylphosphane;thieno[2,3-d]pyrimidin-5-one
CID 145128567
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
6,7-bis[(4-methylphenyl)sulfanyl]quinazoline-5,8-dione
CID 57395794
2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
CID 175727554
6-(4-methylpyrimidin-5-yl)pyridin-2-amine
CID 82405870

Frequently Asked Questions

What is the IUPAC name of pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of pyrazolo[3,4-d]pyrimidin-3-one (CID 66667981) is pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for pyrazolo[3,4-d]pyrimidin-3-one is O=C1N=Nc2ncncc21.
What is the InChIKey of pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is NSQYMQABPXEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H.
What are the key properties of pyrazolo[3,4-d]pyrimidin-3-one?
pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 134.10 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 66667981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).