methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate

C9H12N2O3 — CID 106548464

IUPACmethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3
InChIKeyFWAIJDHMZVHWEP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.29
Rot. Bonds2

About methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate

methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 106548464) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID106548464
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(C)n1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3
InChIKeyFWAIJDHMZVHWEP-UHFFFAOYSA-N
XLogP0.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
CID 162727176
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727852
Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727996
ethyl (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 175703301
ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703327
Ethyl 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548439
Methyl 2-(6-oxohydropyridazinyl)acetate
CID 46786410
ethyl 2-[4-methyl-6-oxopyridazin-1(6H)-yl]propanoate
CID 66939398
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
ethyl [4-methyl-6-oxopyridazin-1(6H)-yl]acetate
CID 77231410

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 106548464) is methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate is COC(=O)C(C)n1ncc(C)cc1=O.
What is the InChIKey of methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is FWAIJDHMZVHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3.
What are the key properties of methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 106548464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).