(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate

C14H18N2O5 — CID 75401924

IUPAC(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OC2CC(C)OC2=O)ccc1=O
InChIInChI=1S/C14H18N2O5/c1-3-4-7-16-12(17)6-5-10(15-16)13(18)21-11-8-9(2)20-14(11)19/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRGZSHXYKBXKTJS-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.90
Rot. Bonds5

About (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate

(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 75401924) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID75401924
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OC2CC(C)OC2=O)ccc1=O
InChIInChI=1S/C14H18N2O5/c1-3-4-7-16-12(17)6-5-10(15-16)13(18)21-11-8-9(2)20-14(11)19/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRGZSHXYKBXKTJS-UHFFFAOYSA-N
XLogP0.90
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate 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 (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate (CID 75401924) is (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OC2CC(C)OC2=O)ccc1=O.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is RGZSHXYKBXKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-4-7-16-12(17)6-5-10(15-16)13(18)21-11-8-9(2)20-14(11)19/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate?
(5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 75401924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).