methyl 6-oxo-1-propylpyridazine-3-carboxylate

C9H12N2O3 — CID 78906234

IUPACmethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OC)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-3-6-11-8(12)5-4-7(10-11)9(13)14-2/h4-5H,3,6H2,1-2H3
InChIKeyYTMIZVBWHCZAFK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.44
Rot. Bonds3

About methyl 6-oxo-1-propylpyridazine-3-carboxylate

methyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 78906234) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID78906234
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OC)ccc1=O
InChIInChI=1S/C9H12N2O3/c1-3-6-11-8(12)5-4-7(10-11)9(13)14-2/h4-5H,3,6H2,1-2H3
InChIKeyYTMIZVBWHCZAFK-UHFFFAOYSA-N
XLogP0.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-oxo-1-propylpyridazine-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 methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 78906234) is methyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OC)ccc1=O.
What is the InChIKey of methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is YTMIZVBWHCZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-6-11-8(12)5-4-7(10-11)9(13)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 6-oxo-1-propylpyridazine-3-carboxylate?
methyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 78906234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).