1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C7H8N4O — CID 135626437

IUPAC1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C7H8N4O/c1-4-5-6(11(2)10-4)7(12)9-3-8-5/h3H,1-2H3,(H,8,9,12)
InChIKeyIBXZYDHNBAILPM-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.03
Rot. Bonds

About 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626437) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626437
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C7H8N4O/c1-4-5-6(11(2)10-4)7(12)9-3-8-5/h3H,1-2H3,(H,8,9,12)
InChIKeyIBXZYDHNBAILPM-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 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626437) is 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)[nH]cnc12.
What is the InChIKey of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is IBXZYDHNBAILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-5-6(11(2)10-4)7(12)9-3-8-5/h3H,1-2H3,(H,8,9,12).
What are the key properties of 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-6H-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 1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).