3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

C7H7BrN4O — CID 15563728

IUPAC3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c(Br)nn2C)c1=O
InChIInChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)10-12(6)2/h3H,1-2H3
InChIKeyUWYKKSVMGFCHED-UHFFFAOYSA-N
MW243.06 g/mol
LogP0.43
Rot. Bonds

About 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15563728) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15563728
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c(Br)nn2C)c1=O
InChIInChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)10-12(6)2/h3H,1-2H3
InChIKeyUWYKKSVMGFCHED-UHFFFAOYSA-N
XLogP0.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-bromo-1,5-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 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 15563728) is 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is Cn1cnc2c(c(Br)nn2C)c1=O.
What is the InChIKey of 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UWYKKSVMGFCHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-11-3-9-6-4(7(11)13)5(8)10-12(6)2/h3H,1-2H3.
What are the key properties of 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 243.06 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15563728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).