1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

C5H4N4O — CID 45080224

IUPAC1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH][nH]c2ncncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyJTNQNHQPENYUGB-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.35
Rot. Bonds

About 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 45080224) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
PubChem CID45080224
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH][nH]c2ncncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyJTNQNHQPENYUGB-UHFFFAOYSA-N
XLogP-0.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-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 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one (CID 45080224) is 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one is O=c1[nH][nH]c2ncncc12.
What is the InChIKey of 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is JTNQNHQPENYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-3-1-6-2-7-4(3)8-9-5/h1-2H,(H2,6,7,8,9,10).
What are the key properties of 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one?
1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 136.11 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 45080224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).