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

C6H6N4O2 — CID 641946

IUPAC7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c(=O)c2cn[nH]c21
InChIInChI=1S/C6H6N4O2/c1-10-4-3(2-7-9-4)5(11)8-6(10)12/h2H,1H3,(H,7,9)(H,8,11,12)
InChIKeyLFTORIGMRAACBY-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.05
Rot. Bonds

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

7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 641946) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID641946
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCn1c(=O)[nH]c(=O)c2cn[nH]c21
InChIInChI=1S/C6H6N4O2/c1-10-4-3(2-7-9-4)5(11)8-6(10)12/h2H,1H3,(H,7,9)(H,8,11,12)
InChIKeyLFTORIGMRAACBY-UHFFFAOYSA-N
XLogP-1.05
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 641946) is 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione is Cn1c(=O)[nH]c(=O)c2cn[nH]c21.
What is the InChIKey of 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is LFTORIGMRAACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-10-4-3(2-7-9-4)5(11)8-6(10)12/h2H,1H3,(H,7,9)(H,8,11,12).
What are the key properties of 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 166.14 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 641946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).