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

C8H10N4O — CID 135709804

IUPAC1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C8H10N4O/c1-4-6-7(12(3)11-4)8(13)10-5(2)9-6/h1-3H3,(H,9,10,13)
InChIKeyOZYRFKZCHSSRST-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.27
Rot. Bonds

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

1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135709804) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135709804
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nc2c(C)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C8H10N4O/c1-4-6-7(12(3)11-4)8(13)10-5(2)9-6/h1-3H3,(H,9,10,13)
InChIKeyOZYRFKZCHSSRST-UHFFFAOYSA-N
XLogP0.27
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135709804) is 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nc2c(C)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OZYRFKZCHSSRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-6-7(12(3)11-4)8(13)10-5(2)9-6/h1-3H3,(H,9,10,13).
What are the key properties of 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135709804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).