propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate

C12H18N2O3 — CID 166467013

IUPACpropan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCc1ccc(=O)n(C(C)(C)C(=O)OC(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-11(16)12(4,5)14-10(15)7-6-9(3)13-14/h6-8H,1-5H3
InChIKeyQLJQYBHBMKZUTF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.24
Rot. Bonds3

About propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate

propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 166467013) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID166467013
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namepropan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCc1ccc(=O)n(C(C)(C)C(=O)OC(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-11(16)12(4,5)14-10(15)7-6-9(3)13-14/h6-8H,1-5H3
InChIKeyQLJQYBHBMKZUTF-UHFFFAOYSA-N
XLogP1.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate 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 propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate (CID 166467013) is propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate is Cc1ccc(=O)n(C(C)(C)C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is QLJQYBHBMKZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)17-11(16)12(4,5)14-10(15)7-6-9(3)13-14/h6-8H,1-5H3.
What are the key properties of propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate?
propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-(3-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 166467013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).