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

C7H8N4O — CID 70666004

IUPAC5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2cn[nH]c2c(=O)n1C
InChIInChI=1S/C7H8N4O/c1-4-9-5-3-8-10-6(5)7(12)11(4)2/h3H,1-2H3,(H,8,10)
InChIKeyQCZIYWHTUIREAU-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

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

5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 70666004) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID70666004
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2cn[nH]c2c(=O)n1C
InChIInChI=1S/C7H8N4O/c1-4-9-5-3-8-10-6(5)7(12)11(4)2/h3H,1-2H3,(H,8,10)
InChIKeyQCZIYWHTUIREAU-UHFFFAOYSA-N
XLogP-0.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one (CID 70666004) is 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nc2cn[nH]c2c(=O)n1C.
What is the InChIKey of 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QCZIYWHTUIREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-9-5-3-8-10-6(5)7(12)11(4)2/h3H,1-2H3,(H,8,10).
What are the key properties of 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one?
5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 164.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 70666004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).