1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C5H4N4O — CID 135401907

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IUPAC1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]ncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyOFCNXPDARWKPPY-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.35
Rot. Bonds

About 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135401907) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135401907
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]ncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyOFCNXPDARWKPPY-UHFFFAOYSA-N
XLogP-0.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
1H-Pyrazole-4-carboxamide, 3-amino-
CID 79254
Happ
CID 135403386
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472838
6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135456970
6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135517169
6-(allylthio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135472830
6-Ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135517158
6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135483440
6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135682068
Pyrazole-4-carboxamide, 3-(3-butyl-3-methyl-1-triazeno)-
CID 135666434
N,N-diethyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135472826

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135401907) is 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]ncc12.
What is the InChIKey of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OFCNXPDARWKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10).
What are the key properties of 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 136.11 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).