2-(2-oxopropyl)-1H-pyridazine-3,6-dione

C7H8N2O3 — CID 58815500

IUPAC2-(2-oxopropyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3H,4H2,1H3,(H,8,11)
InChIKeyRFEYUVLCPAYCNI-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.87
Rot. Bonds2

About 2-(2-oxopropyl)-1H-pyridazine-3,6-dione

2-(2-oxopropyl)-1H-pyridazine-3,6-dione (PubChem CID 58815500) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2-oxopropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-oxopropyl)-1H-pyridazine-3,6-dione
PubChem CID58815500
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(2-oxopropyl)-1H-pyridazine-3,6-dione
SMILESCC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3H,4H2,1H3,(H,8,11)
InChIKeyRFEYUVLCPAYCNI-UHFFFAOYSA-N
XLogP-0.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxopropyl)-1H-pyridazine-3,6-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 2-(2-oxopropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-oxopropyl)-1H-pyridazine-3,6-dione (CID 58815500) is 2-(2-oxopropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-oxopropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-oxopropyl)-1H-pyridazine-3,6-dione is CC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-oxopropyl)-1H-pyridazine-3,6-dione?
The InChIKey is RFEYUVLCPAYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(10)4-9-7(12)3-2-6(11)8-9/h2-3H,4H2,1H3,(H,8,11).
What are the key properties of 2-(2-oxopropyl)-1H-pyridazine-3,6-dione?
2-(2-oxopropyl)-1H-pyridazine-3,6-dione has a molecular weight of 168.15 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 58815500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).