1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C6H6N4O — CID 135449549

IUPAC1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C6H6N4O/c1-10-5-4(2-9-10)7-3-8-6(5)11/h2-3H,1H3,(H,7,8,11)
InChIKeyJAFSZKZHCNWJIY-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135449549) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135449549
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C6H6N4O/c1-10-5-4(2-9-10)7-3-8-6(5)11/h2-3H,1H3,(H,7,8,11)
InChIKeyJAFSZKZHCNWJIY-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135449549) is 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cn1ncc2nc[nH]c(=O)c21.
What is the InChIKey of 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JAFSZKZHCNWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-5-4(2-9-10)7-3-8-6(5)11/h2-3H,1H3,(H,7,8,11).
What are the key properties of 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135449549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).