5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one

C9H12N4O — CID 5324531

IUPAC5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(C)nc2c(cnn2C)c1=O
InChIInChI=1S/C9H12N4O/c1-4-13-6(2)11-8-7(9(13)14)5-10-12(8)3/h5H,4H2,1-3H3
InChIKeyYOPAMBPHDSHWKU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.46
Rot. Bonds1

About 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one

5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 5324531) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID5324531
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(C)nc2c(cnn2C)c1=O
InChIInChI=1S/C9H12N4O/c1-4-13-6(2)11-8-7(9(13)14)5-10-12(8)3/h5H,4H2,1-3H3
InChIKeyYOPAMBPHDSHWKU-UHFFFAOYSA-N
XLogP0.46
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 5324531) is 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one is CCn1c(C)nc2c(cnn2C)c1=O.
What is the InChIKey of 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YOPAMBPHDSHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-13-6(2)11-8-7(9(13)14)5-10-12(8)3/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 5324531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).