2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one

C5H4N4O2 — CID 150583586

IUPAC2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn(O)nc12
InChIInChI=1S/C5H4N4O2/c10-5-4-3(6-2-7-5)1-9(11)8-4/h1-2,11H,(H,6,7,10)
InChIKeyIOIYYLSMELNMOK-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.64
Rot. Bonds

About 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 150583586) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID150583586
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2cn(O)nc12
InChIInChI=1S/C5H4N4O2/c10-5-4-3(6-2-7-5)1-9(11)8-4/h1-2,11H,(H,6,7,10)
InChIKeyIOIYYLSMELNMOK-UHFFFAOYSA-N
XLogP-0.64
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-Ketopyrazolo(4,3-d)pyrimidine
CID 135460353
1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135741770
2-methyl-2H-pyrazolo(4,3-d)pyrimidin-7-ol
CID 135833870
1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 167236129
1-(1,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 175523841
1-(trifluoromethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 176212867
6-Carbamoyl-7-hydroxypyrazolopyrimidine
CID 129872770
2-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 153728651
5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one
CID 70666004
5-Amino-7-oxo-1,6-dihydro-pyrazolo[4,3-d]pyrimidine
CID 135451129
5-Methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol
CID 135548776

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 150583586) is 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one is O=c1[nH]cnc2cn(O)nc12.
What is the InChIKey of 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is IOIYYLSMELNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-5-4-3(6-2-7-5)1-9(11)8-4/h1-2,11H,(H,6,7,10).
What are the key properties of 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 152.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 150583586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).