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

C10H14N2O3 — CID 66939398

IUPACethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3
InChIKeyDYCPOHVCMCFCJK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.68
Rot. Bonds3

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

ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 66939398) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID66939398
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)C(C)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3
InChIKeyDYCPOHVCMCFCJK-UHFFFAOYSA-N
XLogP0.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 66939398) is ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate is CCOC(=O)C(C)n1ncc(C)cc1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is DYCPOHVCMCFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 66939398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).