5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C6H6N4O3 — CID 135740460

IUPAC5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1ncc2c(=O)n(O)c(=O)[nH]c21
InChIInChI=1S/C6H6N4O3/c1-9-4-3(2-7-9)5(11)10(13)6(12)8-4/h2,13H,1H3,(H,8,12)
InChIKeyZBPJXHLVXZHQBM-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.34
Rot. Bonds

About 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135740460) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135740460
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1ncc2c(=O)n(O)c(=O)[nH]c21
InChIInChI=1S/C6H6N4O3/c1-9-4-3(2-7-9)5(11)10(13)6(12)8-4/h2,13H,1H3,(H,8,12)
InChIKeyZBPJXHLVXZHQBM-UHFFFAOYSA-N
XLogP-1.34
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Oxypurinol
CID 135398752
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
6-(Dimethylamino)-1-methyl-1,2-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135431258
thiazolo[4,5-d]pyrimidin-2(3H)-one, 7-amino-3-phenyl-
CID 641946
1-(2-hydroxyethyl)-6-mercapto-1,5-dihydro-4{H}-pyrazolo[3,4-{d}]pyrimidin-4-one
CID 135863371
2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 155216821
2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 163856805
5-Hydroxy-2-methyl-1h-pyrazolo[3,4-d]pyrimidine-4,6(2h,5h)-dione
CID 135426869
1,5,7-Trimethyl-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
CID 227484
1-Methyl-6-(methylamino)-1,2-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135399242

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135740460) is 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cn1ncc2c(=O)n(O)c(=O)[nH]c21.
What is the InChIKey of 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is ZBPJXHLVXZHQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c1-9-4-3(2-7-9)5(11)10(13)6(12)8-4/h2,13H,1H3,(H,8,12).
What are the key properties of 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 182.14 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135740460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).