1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C6H5N3O2 — CID 67480363

IUPAC1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1cc2[nH]ccc(=O)n2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-3-4-7-2-1-6(11)9(4)8-5/h1-3,7H,(H,8,10)
InChIKeyDSCFTJGGBUPUMH-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.68
Rot. Bonds

About 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 67480363) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID67480363
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1cc2[nH]ccc(=O)n2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-3-4-7-2-1-6(11)9(4)8-5/h1-3,7H,(H,8,10)
InChIKeyDSCFTJGGBUPUMH-UHFFFAOYSA-N
XLogP-0.68
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione 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 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 67480363) is 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is O=c1cc2[nH]ccc(=O)n2[nH]1.
What is the InChIKey of 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is DSCFTJGGBUPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-5-3-4-7-2-1-6(11)9(4)8-5/h1-3,7H,(H,8,10).
What are the key properties of 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 151.12 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 67480363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).