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

C8H12N2O2 — CID 138715279

IUPAC2-(2-methylpropyl)-1H-pyridazine-3,6-dione
SMILESCC(C)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyUCBHBXALHOZYAR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.19
Rot. Bonds2

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

2-(2-methylpropyl)-1H-pyridazine-3,6-dione (PubChem CID 138715279) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-1H-pyridazine-3,6-dione
PubChem CID138715279
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-methylpropyl)-1H-pyridazine-3,6-dione
SMILESCC(C)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyUCBHBXALHOZYAR-UHFFFAOYSA-N
XLogP0.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-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-methylpropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-methylpropyl)-1H-pyridazine-3,6-dione (CID 138715279) is 2-(2-methylpropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-methylpropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-methylpropyl)-1H-pyridazine-3,6-dione is CC(C)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-methylpropyl)-1H-pyridazine-3,6-dione?
The InChIKey is UCBHBXALHOZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)5-10-8(12)4-3-7(11)9-10/h3-4,6H,5H2,1-2H3,(H,9,11).
What are the key properties of 2-(2-methylpropyl)-1H-pyridazine-3,6-dione?
2-(2-methylpropyl)-1H-pyridazine-3,6-dione has a molecular weight of 168.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 138715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).