2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione

C5H4N4O2 — CID 135703347

IUPAC2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
SMILESO=c1[nH]cnc2[nH][nH]c(=O)c12
InChIInChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)8-9-5(2)11/h1H,(H3,6,7,8,9,10,11)
InChIKeyMEMZZEWZIKXSAU-UHFFFAOYSA-N
MW152.11 g/mol
LogP-1.06
Rot. Bonds

About 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione

2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione (PubChem CID 135703347) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
PubChem CID135703347
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
SMILESO=c1[nH]cnc2[nH][nH]c(=O)c12
InChIInChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)8-9-5(2)11/h1H,(H3,6,7,8,9,10,11)
InChIKeyMEMZZEWZIKXSAU-UHFFFAOYSA-N
XLogP-1.06
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818
4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 155036132
azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
CID 138986802
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135408240
1,7-dihydropurin-6-one
CID 135546991
4,6,8-triaza-12-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-3-one
CID 136612285
CID 135618481
CID 135618481
6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137288238
11,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
CID 136740086
azane;1,7-dihydropurin-6-one
CID 158320966
3-amino-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 178200218
4-chloro-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137131854

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione?
The IUPAC name of 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione (CID 135703347) is 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione.
What is the SMILES notation for 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione?
The canonical SMILES for 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione is O=c1[nH]cnc2[nH][nH]c(=O)c12.
What is the InChIKey of 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione?
The InChIKey is MEMZZEWZIKXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-4-2-3(6-1-7-4)8-9-5(2)11/h1H,(H3,6,7,8,9,10,11).
What are the key properties of 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione?
2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione has a molecular weight of 152.11 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione is sourced from PubChem (CID 135703347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).