3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C5H3BrN4O — CID 135493710

IUPAC3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Br)c12
InChIInChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
InChIKeyKAHCKNUEZSETEP-UHFFFAOYSA-N
MW215.01 g/mol
LogP0.41
Rot. Bonds

About 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135493710) has the molecular formula C5H3BrN4O and a molecular weight of 215.01 g/mol. Its IUPAC name is 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135493710
Molecular FormulaC5H3BrN4O
Molecular Weight215.01 g/mol
Exact Mass213.95
IUPAC Name3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Br)c12
InChIInChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
InChIKeyKAHCKNUEZSETEP-UHFFFAOYSA-N
XLogP0.41
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2,5-dihydropyrazolo[3,4-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-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135493710) is 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2n[nH]c(Br)c12.
What is the InChIKey of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KAHCKNUEZSETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11).
What are the key properties of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 215.01 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135493710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).